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

C23H31N3O3 — CID 109193613

IUPAC5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NC3CCCCCC3)cn2)cc1OC
InChIInChI=1S/C23H31N3O3/c1-28-21-12-9-17(15-22(21)29-2)13-14-24-23(27)20-11-10-19(16-25-20)26-18-7-5-3-4-6-8-18/h9-12,15-16,18,26H,3-8,13-14H2,1-2H3,(H,24,27)
InChIKeyXOKIEBCSCVJPAG-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.21
Rot. Bonds8

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

5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109193613) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109193613
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NC3CCCCCC3)cn2)cc1OC
InChIInChI=1S/C23H31N3O3/c1-28-21-12-9-17(15-22(21)29-2)13-14-24-23(27)20-11-10-19(16-25-20)26-18-7-5-3-4-6-8-18/h9-12,15-16,18,26H,3-8,13-14H2,1-2H3,(H,24,27)
InChIKeyXOKIEBCSCVJPAG-UHFFFAOYSA-N
XLogP4.21
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109182948
5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086
N-[2-(4-chlorophenyl)ethyl]-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182393
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
5-(cyclohexylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183176
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181080
5-(cyclohexylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179444

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109193613) is 5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(NC3CCCCCC3)cn2)cc1OC.
What is the InChIKey of 5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is XOKIEBCSCVJPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-21-12-9-17(15-22(21)29-2)13-14-24-23(27)20-11-10-19(16-25-20)26-18-7-5-3-4-6-8-18/h9-12,15-16,18,26H,3-8,13-14H2,1-2H3,(H,24,27).
What are the key properties of 5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide?
5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109193613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).