6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide

C19H21ClN4O3 — CID 109155138

IUPAC6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1Cl
InChIInChI=1S/C19H21ClN4O3/c1-13(25)23-7-9-24(10-8-23)18-6-3-14(12-21-18)19(26)22-15-4-5-17(27-2)16(20)11-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)
InChIKeySAEGLOKPNQIIRD-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.66
Rot. Bonds4

About 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide

6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109155138) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109155138
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1Cl
InChIInChI=1S/C19H21ClN4O3/c1-13(25)23-7-9-24(10-8-23)18-6-3-14(12-21-18)19(26)22-15-4-5-17(27-2)16(20)11-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)
InChIKeySAEGLOKPNQIIRD-UHFFFAOYSA-N
XLogP2.66
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
6-(4-acetylpiperazin-1-yl)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109155174
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 16730301
N-(3-chloro-4-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62184786
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109254821
N-(3-chloro-4-methoxyphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098899

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide (CID 109155138) is 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)nc2)cc1Cl.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is SAEGLOKPNQIIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-13(25)23-7-9-24(10-8-23)18-6-3-14(12-21-18)19(26)22-15-4-5-17(27-2)16(20)11-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,26).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109155138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).