6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide

C29H34FN5O — CID 56970431

IUPAC6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(C3CCN(C4CCCC4)CC3)c2)cc1NCc1ccccc1F
InChIInChI=1S/C29H34FN5O/c30-26-11-4-1-6-22(26)18-32-27-17-28(33-19-25(27)29(31)36)34-23-8-5-7-21(16-23)20-12-14-35(15-13-20)24-9-2-3-10-24/h1,4-8,11,16-17,19-20,24H,2-3,9-10,12-15,18H2,(H2,31,36)(H2,32,33,34)
InChIKeySRAUEXINOLDMIP-UHFFFAOYSA-N
MW487.62 g/mol
LogP5.80
Rot. Bonds8

About 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide

6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 56970431) has the molecular formula C29H34FN5O and a molecular weight of 487.62 g/mol. Its IUPAC name is 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID56970431
Molecular FormulaC29H34FN5O
Molecular Weight487.62 g/mol
Exact Mass487.27
IUPAC Name6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccc(C3CCN(C4CCCC4)CC3)c2)cc1NCc1ccccc1F
InChIInChI=1S/C29H34FN5O/c30-26-11-4-1-6-22(26)18-32-27-17-28(33-19-25(27)29(31)36)34-23-8-5-7-21(16-23)20-12-14-35(15-13-20)24-9-2-3-10-24/h1,4-8,11,16-17,19-20,24H,2-3,9-10,12-15,18H2,(H2,31,36)(H2,32,33,34)
InChIKeySRAUEXINOLDMIP-UHFFFAOYSA-N
XLogP5.80
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.62
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
CID 56969798
4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67502230
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67501703
6-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-4-(1H-indol-4-ylmethylamino)pyridine-3-carboxamide
CID 87424144
6-[4-[4-(2-cyanoacetyl)piperazin-1-yl]anilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67423885
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide
CID 68759976
4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 46219966
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide
CID 67502269
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
CID 67500823

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 56970431) is 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(Nc2cccc(C3CCN(C4CCCC4)CC3)c2)cc1NCc1ccccc1F.
What is the InChIKey of 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is SRAUEXINOLDMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O/c30-26-11-4-1-6-22(26)18-32-27-17-28(33-19-25(27)29(31)36)34-23-8-5-7-21(16-23)20-12-14-35(15-13-20)24-9-2-3-10-24/h1,4-8,11,16-17,19-20,24H,2-3,9-10,12-15,18H2,(H2,31,36)(H2,32,33,34).
What are the key properties of 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 487.62 g/mol, XLogP of 5.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-cyclopentylpiperidin-4-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 56970431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).