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

C20H24ClN3O3 — CID 109226984

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(NC3CCCCC3)c2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-26-18-10-17(19(27-2)9-16(18)21)24-20(25)13-8-15(12-22-11-13)23-14-6-4-3-5-7-14/h8-12,14,23H,3-7H2,1-2H3,(H,24,25)
InChIKeyQCPJRDPPCXTSAH-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.75
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide (PubChem CID 109226984) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
PubChem CID109226984
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(NC3CCCCC3)c2)c(OC)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-26-18-10-17(19(27-2)9-16(18)21)24-20(25)13-8-15(12-22-11-13)23-14-6-4-3-5-7-14/h8-12,14,23H,3-7H2,1-2H3,(H,24,25)
InChIKeyQCPJRDPPCXTSAH-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)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
5-(cyclohexylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109226939
5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109239634
N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
CID 109152462
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109205055
5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 109239662
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226175
methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226206
5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109226240
methyl 4-[[5-(cyclohexylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226950
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223234
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide (CID 109226984) is N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide is COc1cc(NC(=O)c2cncc(NC3CCCCC3)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide?
The InChIKey is QCPJRDPPCXTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-26-18-10-17(19(27-2)9-16(18)21)24-20(25)13-8-15(12-22-11-13)23-14-6-4-3-5-7-14/h8-12,14,23H,3-7H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5-(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)-5-(cyclohexylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109226984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).