5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

C21H27N3O2 — CID 109226851

IUPAC5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-7-16(8-10-20)11-12-23-21(25)17-13-19(15-22-14-17)24-18-5-3-2-4-6-18/h7-10,13-15,18,24H,2-6,11-12H2,1H3,(H,23,25)
InChIKeyITJJOHHMTSGVAF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.81
Rot. Bonds7

About 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide

5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109226851) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID109226851
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-7-16(8-10-20)11-12-23-21(25)17-13-19(15-22-14-17)24-18-5-3-2-4-6-18/h7-10,13-15,18,24H,2-6,11-12H2,1H3,(H,23,25)
InChIKeyITJJOHHMTSGVAF-UHFFFAOYSA-N
XLogP3.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236844
N-cyclopentyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109225918
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109152174
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
5-(cyclopropylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109223789
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109239634
5-(cyclohexylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109226939
5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109106436
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
5-(cyclopentylamino)-N-pentylpyridine-3-carboxamide
CID 109226139

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 109226851) is 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cncc(NC3CCCCC3)c2)cc1.
What is the InChIKey of 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is ITJJOHHMTSGVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-20-9-7-16(8-10-20)11-12-23-21(25)17-13-19(15-22-14-17)24-18-5-3-2-4-6-18/h7-10,13-15,18,24H,2-6,11-12H2,1H3,(H,23,25).
What are the key properties of 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109226851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).