N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide

C20H23BrN4O — CID 133320105

IUPACN-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESC=CCN1CCC(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23BrN4O/c1-2-12-25-13-9-17(10-14-25)23-19-18(4-3-11-22-19)20(26)24-16-7-5-15(21)6-8-16/h2-8,11,17H,1,9-10,12-14H2,(H,22,23)(H,24,26)
InChIKeyNXOZRSKNQSCOJJ-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.16
Rot. Bonds6

About N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide

N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 133320105) has the molecular formula C20H23BrN4O and a molecular weight of 415.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID133320105
Molecular FormulaC20H23BrN4O
Molecular Weight415.34 g/mol
Exact Mass414.11
IUPAC NameN-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESC=CCN1CCC(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23BrN4O/c1-2-12-25-13-9-17(10-14-25)23-19-18(4-3-11-22-19)20(26)24-16-7-5-15(21)6-8-16/h2-8,11,17H,1,9-10,12-14H2,(H,22,23)(H,24,26)
InChIKeyNXOZRSKNQSCOJJ-UHFFFAOYSA-N
XLogP4.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 84574884
2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099
N-(4-bromophenyl)-2-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carboxamide
CID 133301482
2-(cyclohexylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632911
2-(cyclopropylamino)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 84574680
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352925
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide
CID 133328257

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide (CID 133320105) is N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide is C=CCN1CCC(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is NXOZRSKNQSCOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O/c1-2-12-25-13-9-17(10-14-25)23-19-18(4-3-11-22-19)20(26)24-16-7-5-15(21)6-8-16/h2-8,11,17H,1,9-10,12-14H2,(H,22,23)(H,24,26).
What are the key properties of N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide?
N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 415.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133320105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).