N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide

C20H24ClN3O3 — CID 109152462

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NC3CCCCC3)nc2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-26-17-11-16(18(27-2)10-15(17)21)24-20(25)13-8-9-19(22-12-13)23-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeySSLAQXQVXIRKEC-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.75
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide (PubChem CID 109152462) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
PubChem CID109152462
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(NC3CCCCC3)nc2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-26-17-11-16(18(27-2)10-15(17)21)24-20(25)13-8-9-19(22-12-13)23-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeySSLAQXQVXIRKEC-UHFFFAOYSA-N
XLogP4.75
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029
N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226984
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161219
6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109205055
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157742
N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
CID 109287599
methyl 4-[[6-(cycloheptylamino)pyridine-3-carbonyl]amino]benzoate
CID 109161045
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide (CID 109152462) is N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(NC3CCCCC3)nc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide?
The InChIKey is SSLAQXQVXIRKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-26-17-11-16(18(27-2)10-15(17)21)24-20(25)13-8-9-19(22-12-13)23-14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109152462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).