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

C21H27N3O3 — CID 109175088

IUPAC2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(NC3CCCCCC3)c2)c1
InChIInChI=1S/C21H27N3O3/c1-26-17-9-10-19(27-2)18(14-17)24-21(25)15-11-12-22-20(13-15)23-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyJCMCMJPVBUQVRX-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.49
Rot. Bonds6

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

2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109175088) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
PubChem CID109175088
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(NC3CCCCCC3)c2)c1
InChIInChI=1S/C21H27N3O3/c1-26-17-9-10-19(27-2)18(14-17)24-21(25)15-11-12-22-20(13-15)23-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyJCMCMJPVBUQVRX-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

6-(cyclopentylamino)-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109112205
3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056122
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide
CID 109176317
N-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109177330
2-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174903
2-(cyclohexylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109166348
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178333
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090251
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175691

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide (CID 109175088) is 2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2ccnc(NC3CCCCCC3)c2)c1.
What is the InChIKey of 2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is JCMCMJPVBUQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-17-9-10-19(27-2)18(14-17)24-21(25)15-11-12-22-20(13-15)23-16-7-5-3-4-6-8-16/h9-14,16H,3-8H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide?
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-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 2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109175088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).