2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide

C15H23N3O — CID 114325811

IUPAC2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H23N3O/c1-2-11-5-3-4-6-14(11)18-15(19)12-7-8-17-13(9-12)10-16/h7-9,11,14H,2-6,10,16H2,1H3,(H,18,19)
InChIKeyVTOCCQGPZNSRPG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.24
Rot. Bonds4

About 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide (PubChem CID 114325811) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
PubChem CID114325811
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H23N3O/c1-2-11-5-3-4-6-14(11)18-15(19)12-7-8-17-13(9-12)10-16/h7-9,11,14H,2-6,10,16H2,1H3,(H,18,19)
InChIKeyVTOCCQGPZNSRPG-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
N-(3-ethyl-2-methylcyclohexyl)-2-fluoropyridine-4-carboxamide
CID 123635888
3-amino-N-(2-ethylcyclohexyl)-4-methylbenzamide
CID 43706938
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
4-carbamothioyl-N-(2-ethylcyclohexyl)benzamide
CID 47355548
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
N-(2-ethylcyclohexyl)-3-methyl-4-(methylamino)benzamide
CID 63213551
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 114326740
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide (CID 114325811) is 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide is CCC1CCCCC1NC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is VTOCCQGPZNSRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-11-5-3-4-6-14(11)18-15(19)12-7-8-17-13(9-12)10-16/h7-9,11,14H,2-6,10,16H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).