N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide

C22H22ClN5O — CID 58614726

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1nc(N2CCNCC2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C22H22ClN5O/c1-15-17(6-8-21(26-15)28-12-10-24-11-13-28)22(29)27-16-5-7-19(23)18(14-16)20-4-2-3-9-25-20/h2-9,14,24H,10-13H2,1H3,(H,27,29)
InChIKeyOJPLLFOBSZCARS-UHFFFAOYSA-N
MW407.91 g/mol
LogP3.77
Rot. Bonds4

About N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 58614726) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide
PubChem CID58614726
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide
SMILESCc1nc(N2CCNCC2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C22H22ClN5O/c1-15-17(6-8-21(26-15)28-12-10-24-11-13-28)22(29)27-16-5-7-19(23)18(14-16)20-4-2-3-9-25-20/h2-9,14,24H,10-13H2,1H3,(H,27,29)
InChIKeyOJPLLFOBSZCARS-UHFFFAOYSA-N
XLogP3.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide
CID 170123949
2-acetamido-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methylpyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-iodo-4-methylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 159805698
2-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 170124545
2-chloro-N-(4-iodo-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide
CID 70797621
N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 158198223
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide
CID 143198912

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide (CID 58614726) is N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide is Cc1nc(N2CCNCC2)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is OJPLLFOBSZCARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-15-17(6-8-21(26-15)28-12-10-24-11-13-28)22(29)27-16-5-7-19(23)18(14-16)20-4-2-3-9-25-20/h2-9,14,24H,10-13H2,1H3,(H,27,29).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 407.91 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 58614726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).