N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide

C20H26N4O2 — CID 119474998

IUPACN-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ncccc2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-2-26-17-11-9-15(10-12-17)23-19-18(4-3-13-22-19)20(25)24-16-7-5-14(21)6-8-16/h3-4,9-14,16H,2,5-8,21H2,1H3,(H,22,23)(H,24,25)
InChIKeyXZIWPCJOJRZCSO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.22
Rot. Bonds6

About N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide

N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide (PubChem CID 119474998) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
PubChem CID119474998
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ncccc2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-2-26-17-11-9-15(10-12-17)23-19-18(4-3-13-22-19)20(25)24-16-7-5-14(21)6-8-16/h3-4,9-14,16H,2,5-8,21H2,1H3,(H,22,23)(H,24,25)
InChIKeyXZIWPCJOJRZCSO-UHFFFAOYSA-N
XLogP3.22
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
2-(4-ethoxyanilino)-N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 166402840
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 24567636
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
CID 119405364
[2-(4-ethoxyanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543206
2-(4-ethoxyanilino)-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 112809803
(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone
CID 56533430
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 55308156
2-(4-ethoxyanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxamide
CID 27783158
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 55993721
N-cyclopentyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109182282
3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
CID 100629829

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide (CID 119474998) is N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide is CCOc1ccc(Nc2ncccc2C(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide?
The InChIKey is XZIWPCJOJRZCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-26-17-11-9-15(10-12-17)23-19-18(4-3-13-22-19)20(25)24-16-7-5-14(21)6-8-16/h3-4,9-14,16H,2,5-8,21H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 119474998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).