4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide

C21H27N3O2 — CID 109217163

IUPAC4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(NC2CCCCCC2)ccn1
InChIInChI=1S/C21H27N3O2/c1-2-26-20-12-8-7-11-18(20)24-21(25)19-15-17(13-14-22-19)23-16-9-5-3-4-6-10-16/h7-8,11-16H,2-6,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyTWMJJYQISVGGAP-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.87
Rot. Bonds6

About 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide

4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109217163) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID109217163
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(NC2CCCCCC2)ccn1
InChIInChI=1S/C21H27N3O2/c1-2-26-20-12-8-7-11-18(20)24-21(25)19-15-17(13-14-22-19)23-16-9-5-3-4-6-10-16/h7-8,11-16H,2-6,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyTWMJJYQISVGGAP-UHFFFAOYSA-N
XLogP4.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995
N-(2-ethoxyphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201237
4-(cyclohexylamino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109205054
N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212895
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109205055
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
N-(2-bromophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202038
N-(2-ethoxyphenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210117
2-N-(2-ethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090848
4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109205057

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide (CID 109217163) is 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccccc1NC(=O)c1cc(NC2CCCCCC2)ccn1.
What is the InChIKey of 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is TWMJJYQISVGGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-26-20-12-8-7-11-18(20)24-21(25)19-15-17(13-14-22-19)23-16-9-5-3-4-6-10-16/h7-8,11-16H,2-6,9-10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).