2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide

C18H19ClN6O2 — CID 57396007

IUPAC2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)cc1C#N
InChIInChI=1S/C18H19ClN6O2/c1-10-12(9-20)6-14(22-10)18(27)23-13-2-4-25(5-3-13)16-8-11(17(21)26)7-15(19)24-16/h6-8,13,22H,2-5H2,1H3,(H2,21,26)(H,23,27)
InChIKeyHEUQZADPPVCSIE-UHFFFAOYSA-N
MW386.84 g/mol
LogP1.74
Rot. Bonds4

About 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide

2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 57396007) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID57396007
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)cc1C#N
InChIInChI=1S/C18H19ClN6O2/c1-10-12(9-20)6-14(22-10)18(27)23-13-2-4-25(5-3-13)16-8-11(17(21)26)7-15(19)24-16/h6-8,13,22H,2-5H2,1H3,(H2,21,26)(H,23,27)
InChIKeyHEUQZADPPVCSIE-UHFFFAOYSA-N
XLogP1.74
TPSA127.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Lazucirnon
CID 59534386
2-Chloro-6-(4-{[(3,4-Dichloro-5-Methyl-1h-Pyrrol-2-Yl)carbonyl]amino}piperidin-1-Yl)pyridine-4-Carboxamide
CID 11212591
2-(4-{[(4-Bromo-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-6-chloroisonicotinamide
CID 11419319
2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)isonicotinic acid
CID 57397809
2-Chloro-6-(4-{[(4-chloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)isonicotinamide
CID 57401240
2-Chloro-6-(4-{[(5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-1-piperidinyl)isonicotinamide
CID 57394260
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-ethyl-N,N-dimethylpyridine-4-carboxamide
CID 56965994
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide
CID 56965995
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-ethyl-N,6-dimethylpyridine-4-carboxamide
CID 56967066
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide
CID 67114949
2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 67115103
N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-methylpyridine-4-carboxamide
CID 67115149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide (CID 57396007) is 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide is Cc1[nH]c(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)cc1C#N.
What is the InChIKey of 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is HEUQZADPPVCSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-10-12(9-20)6-14(22-10)18(27)23-13-2-4-25(5-3-13)16-8-11(17(21)26)7-15(19)24-16/h6-8,13,22H,2-5H2,1H3,(H2,21,26)(H,23,27).
What are the key properties of 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-[(4-cyano-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 57396007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).