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

C20H24ClN3O3 — CID 109205055

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(NC3CCCCC3)ccn2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-26-18-12-16(19(27-2)11-15(18)21)24-20(25)17-10-14(8-9-22-17)23-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyZFIZVKBBFZPZMR-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.75
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide (PubChem CID 109205055) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
PubChem CID109205055
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(NC3CCCCC3)ccn2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-26-18-12-16(19(27-2)11-15(18)21)24-20(25)17-10-14(8-9-22-17)23-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyZFIZVKBBFZPZMR-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-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995
N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226984
4-(cyclohexylamino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109205054
N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
CID 109152462
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219056
4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109217163
4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109202049
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217484
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62238327
N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204288

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide (CID 109205055) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide is COc1cc(NC(=O)c2cc(NC3CCCCC3)ccn2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide?
The InChIKey is ZFIZVKBBFZPZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-26-18-12-16(19(27-2)11-15(18)21)24-20(25)17-10-14(8-9-22-17)23-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-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)-4-(cyclohexylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109205055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).