6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride

C82H100BrClF3N19O6 — CID 161671559

IUPAC6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride
SMILESCCNC1=C(C=CC(=N1)C2=CC(=C(C=C2)N)F)C(=O)NCCN3CCCCC3.CCNC1=C(C=CC(=N1)C2=CC(=C(C=C2)NC(=O)C=C)F)C(=O)NCCN3CCCCC3.CCNC1=C(C=CC(=N1)C2=CC(=C(C=C2)NC(=O)/C=C/C3=CN=C(C=C3)N)F)C(=O)NCCN4CCCCC4.C=CC(=O)Cl.C1=CC(=NC=C1Br)N
InChIInChI=1S/C29H34FN7O2.C24H30FN5O2.C21H28FN5O.C5H5BrN2.C3H3ClO/c1-2-32-28-22(29(39)33-14-17-37-15-4-3-5-16-37)9-11-24(36-28)21-8-10-25(23(30)18-21)35-27(38)13-7-20-6-12-26(31)34-19-20;1-3-22(31)28-21-10-8-17(16-19(21)25)20-11-9-18(23(29-20)26-4-2)24(32)27-12-15-30-13-6-5-7-14-30;1-2-24-20-16(21(28)25-10-13-27-11-4-3-5-12-27)7-9-19(26-20)15-6-8-18(23)17(22)14-15;6-4-1-2-5(7)8-3-4;1-2-3(4)5/h6-13,18-19H,2-5,14-17H2,1H3,(H2,31,34)(H,32,36)(H,33,39)(H,35,38);3,8-11,16H,1,4-7,12-15H2,2H3,(H,26,29)(H,27,32)(H,28,31);6-9,14H,2-5,10-13,23H2,1H3,(H,24,26)(H,25,28);1-3H,(H2,7,8);2H,1H2/b13-7+;;;;
InChIKeyXCIUHXNWZKXMFR-BHZDOTFFSA-N
MW1620.10 g/mol
LogP—
Rot. Bonds27

About 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride

6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride (PubChem CID 161671559) has the molecular formula C82H100BrClF3N19O6 and a molecular weight of 1620.10 g/mol. Its IUPAC name is 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride.

Molecular Properties

Compound Name6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride
PubChem CID161671559
Molecular FormulaC82H100BrClF3N19O6
Molecular Weight1620.10 g/mol
Exact Mass1617.69
IUPAC Name6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride
SMILESCCNC1=C(C=CC(=N1)C2=CC(=C(C=C2)N)F)C(=O)NCCN3CCCCC3.CCNC1=C(C=CC(=N1)C2=CC(=C(C=C2)NC(=O)C=C)F)C(=O)NCCN3CCCCC3.CCNC1=C(C=CC(=N1)C2=CC(=C(C=C2)NC(=O)/C=C/C3=CN=C(C=C3)N)F)C(=O)NCCN4CCCCC4.C=CC(=O)Cl.C1=CC(=NC=C1Br)N
InChIInChI=1S/C29H34FN7O2.C24H30FN5O2.C21H28FN5O.C5H5BrN2.C3H3ClO/c1-2-32-28-22(29(39)33-14-17-37-15-4-3-5-16-37)9-11-24(36-28)21-8-10-25(23(30)18-21)35-27(38)13-7-20-6-12-26(31)34-19-20;1-3-22(31)28-21-10-8-17(16-19(21)25)20-11-9-18(23(29-20)26-4-2)24(32)27-12-15-30-13-6-5-7-14-30;1-2-24-20-16(21(28)25-10-13-27-11-4-3-5-12-27)7-9-19(26-20)15-6-8-18(23)17(22)14-15;6-4-1-2-5(7)8-3-4;1-2-3(4)5/h6-13,18-19H,2-5,14-17H2,1H3,(H2,31,34)(H,32,36)(H,33,39)(H,35,38);3,8-11,16H,1,4-7,12-15H2,2H3,(H,26,29)(H,27,32)(H,28,31);6-9,14H,2-5,10-13,23H2,1H3,(H,24,26)(H,25,28);1-3H,(H2,7,8);2H,1H2/b13-7+;;;;
InChIKeyXCIUHXNWZKXMFR-BHZDOTFFSA-N
XLogP—
TPSA351.00 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms112
Complexity2060

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001620.10
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride with MolForge

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Related Compounds

[2-(4-Methylpiperazin-1-yl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098945
N-[4-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]phenyl]acetamide
CID 119099004
6-[4-[(6-Azanylpyridin-3-Yl)methylcarbamoylamino]-3-Fluoranyl-Phenyl]-2-(Ethylamino)-~{n}-(2-Piperidin-1-Ylethyl)pyridine-3-Carboxamide
CID 46917091
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide
CID 46917323
6-[4-[2-(6-amino-3-pyridinyl)ethylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 46917324
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2,6-difluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 46917325
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2,3-difluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 46917326
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(ethylamino)pyridine-3-carboxamide
CID 46917396
2-(ethylamino)-6-[3-fluoro-4-(pyridin-3-ylmethylcarbamoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 46917400
6-[4-[[6-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 46917465
6-[4-[(5-amino-3-pyridinyl)methylcarbamoylamino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 46917466
2-(ethylamino)-6-[3-fluoro-4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 46917467

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride?
The IUPAC name of 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride (CID 161671559) is 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride.
What is the SMILES notation for 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride?
The canonical SMILES for 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride is CCNC1=C(C=CC(=N1)C2=CC(=C(C=C2)N)F)C(=O)NCCN3CCCCC3.CCNC1=C(C=CC(=N1)C2=CC(=C(C=C2)NC(=O)C=C)F)C(=O)NCCN3CCCCC3.CCNC1=C(C=CC(=N1)C2=CC(=C(C=C2)NC(=O)/C=C/C3=CN=C(C=C3)N)F)C(=O)NCCN4CCCCC4.C=CC(=O)Cl.C1=CC(=NC=C1Br)N.
What is the InChIKey of 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride?
The InChIKey is XCIUHXNWZKXMFR-BHZDOTFFSA-N. The full InChI is InChI=1S/C29H34FN7O2.C24H30FN5O2.C21H28FN5O.C5H5BrN2.C3H3ClO/c1-2-32-28-22(29(39)33-14-17-37-15-4-3-5-16-37)9-11-24(36-28)21-8-10-25(23(30)18-21)35-27(38)13-7-20-6-12-26(31)34-19-20;1-3-22(31)28-21-10-8-17(16-19(21)25)20-11-9-18(23(29-20)26-4-2)24(32)27-12-15-30-13-6-5-7-14-30;1-2-24-20-16(21(28)25-10-13-27-11-4-3-5-12-27)7-9-19(26-20)15-6-8-18(23)17(22)14-15;6-4-1-2-5(7)8-3-4;1-2-3(4)5/h6-13,18-19H,2-5,14-17H2,1H3,(H2,31,34)(H,32,36)(H,33,39)(H,35,38);3,8-11,16H,1,4-7,12-15H2,2H3,(H,26,29)(H,27,32)(H,28,31);6-9,14H,2-5,10-13,23H2,1H3,(H,24,26)(H,25,28);1-3H,(H2,7,8);2H,1H2/b13-7+;;;;.
What are the key properties of 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride?
6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride has a molecular weight of 1620.10 g/mol, XLogP of not available, 27 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-fluorophenyl)-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;6-[4-[[(E)-3-(6-amino-3-pyridinyl)prop-2-enoyl]amino]-3-fluorophenyl]-2-(ethylamino)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;2-(ethylamino)-6-[3-fluoro-4-(prop-2-enoylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;prop-2-enoyl chloride is sourced from PubChem (CID 161671559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).