5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

C20H25N3O2 — CID 109239626

IUPAC5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(NC3CCCCCC3)c2)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-9-17(12-19)23-20(24)15-11-18(14-21-13-15)22-16-7-4-2-3-5-8-16/h6,9-14,16,22H,2-5,7-8H2,1H3,(H,23,24)
InChIKeyQCPAQULZAILDTN-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.48
Rot. Bonds5

About 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109239626) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109239626
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(NC3CCCCCC3)c2)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-9-17(12-19)23-20(24)15-11-18(14-21-13-15)22-16-7-4-2-3-5-8-16/h6,9-14,16,22H,2-5,7-8H2,1H3,(H,23,24)
InChIKeyQCPAQULZAILDTN-UHFFFAOYSA-N
XLogP4.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226946
N-(3-acetylphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226944
N-(3-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226964
5-(cyclohexylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109226939
5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109239634
N-(3-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226989
methyl 4-[[5-(cyclohexylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226950
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
5-(cyclohexylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109226974
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
N-(4-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226928
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 109239626) is 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cncc(NC3CCCCCC3)c2)c1.
What is the InChIKey of 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is QCPAQULZAILDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-10-6-9-17(12-19)23-20(24)15-11-18(14-21-13-15)22-16-7-4-2-3-5-8-16/h6,9-14,16,22H,2-5,7-8H2,1H3,(H,23,24).
What are the key properties of 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).