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

C21H27N3O3 — CID 109239634

IUPAC5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NC3CCCCCC3)c2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-9-10-19(20(12-18)27-2)24-21(25)15-11-17(14-22-13-15)23-16-7-5-3-4-6-8-16/h9-14,16,23H,3-8H2,1-2H3,(H,24,25)
InChIKeyHWIYGKJBMBTNLM-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.49
Rot. Bonds6

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

5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109239634) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID109239634
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NC3CCCCCC3)c2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-9-10-19(20(12-18)27-2)24-21(25)15-11-17(14-22-13-15)23-16-7-5-3-4-6-8-16/h9-14,16,23H,3-8H2,1-2H3,(H,24,25)
InChIKeyHWIYGKJBMBTNLM-UHFFFAOYSA-N
XLogP4.49
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclohexylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109226939
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626
N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226984
N-(5-chloro-2-methoxyphenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
5-N-cyclopropyl-3-N-(2,4-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109101658
5-(cyclohexylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109226974
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
N-(2,4-dimethoxyphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245476
methyl 4-[[5-(cyclohexylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226950
methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226206
5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109226851
5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 109239662

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide (CID 109239634) is 5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(NC3CCCCCC3)c2)c(OC)c1.
What is the InChIKey of 5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is HWIYGKJBMBTNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-9-10-19(20(12-18)27-2)24-21(25)15-11-17(14-22-13-15)23-16-7-5-3-4-6-8-16/h9-14,16,23H,3-8H2,1-2H3,(H,24,25).
What are the key properties of 5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide?
5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).