N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide

C20H24ClN3O2 — CID 109161029

IUPACN-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C20H24ClN3O2/c1-26-18-10-9-15(21)12-17(18)24-20(25)14-8-11-19(22-13-14)23-16-6-4-2-3-5-7-16/h8-13,16H,2-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyCUIQRVMHPIPYBL-UHFFFAOYSA-N
MW373.88 g/mol
LogP5.13
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide (PubChem CID 109161029) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
PubChem CID109161029
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NC2CCCCCC2)nc1
InChIInChI=1S/C20H24ClN3O2/c1-26-18-10-9-15(21)12-17(18)24-20(25)14-8-11-19(22-13-14)23-16-6-4-2-3-5-7-16/h8-13,16H,2-7H2,1H3,(H,22,23)(H,24,25)
InChIKeyCUIQRVMHPIPYBL-UHFFFAOYSA-N
XLogP5.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
CID 109152462
N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
CID 109287599
6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458
N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112915
6-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109152496
N-(5-chloro-2-methoxyphenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
N-(5-chloro-2-methoxyphenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109916
6-(2-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109163334
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
N-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152557

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide (CID 109161029) is N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc(NC2CCCCCC2)nc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide?
The InChIKey is CUIQRVMHPIPYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-18-10-9-15(21)12-17(18)24-20(25)14-8-11-19(22-13-14)23-16-6-4-2-3-5-7-16/h8-13,16H,2-7H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109161029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).