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

C21H27N3O2 — CID 109204933

IUPAC4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(NC3CCCCC3)ccn2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-19-9-7-16(8-10-19)11-13-23-21(25)20-15-18(12-14-22-20)24-17-5-3-2-4-6-17/h7-10,12,14-15,17H,2-6,11,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyLDXBJDQELOFSBS-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.81
Rot. Bonds7

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

4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109204933) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109204933
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(NC3CCCCC3)ccn2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-19-9-7-16(8-10-19)11-13-23-21(25)20-15-18(12-14-22-20)24-17-5-3-2-4-6-17/h7-10,12,14-15,17H,2-6,11,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyLDXBJDQELOFSBS-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

4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204211
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109341235
4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087
N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206939
5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109226851
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109204933) is 4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(CCNC(=O)c2cc(NC3CCCCC3)ccn2)cc1.
What is the InChIKey of 4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is LDXBJDQELOFSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-19-9-7-16(8-10-19)11-13-23-21(25)20-15-18(12-14-22-20)24-17-5-3-2-4-6-17/h7-10,12,14-15,17H,2-6,11,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-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 4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109204933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).