N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide

C17H23N5O — CID 119591870

IUPACN-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESNCC(NC(=O)c1ccnc(-n2ccnc2)c1)C1CCCCC1
InChIInChI=1S/C17H23N5O/c18-11-15(13-4-2-1-3-5-13)21-17(23)14-6-7-20-16(10-14)22-9-8-19-12-22/h6-10,12-13,15H,1-5,11,18H2,(H,21,23)
InChIKeyGBXLDUWJWBAQDG-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.90
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 119591870) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID119591870
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESNCC(NC(=O)c1ccnc(-n2ccnc2)c1)C1CCCCC1
InChIInChI=1S/C17H23N5O/c18-11-15(13-4-2-1-3-5-13)21-17(23)14-6-7-20-16(10-14)22-9-8-19-12-22/h6-10,12-13,15H,1-5,11,18H2,(H,21,23)
InChIKeyGBXLDUWJWBAQDG-UHFFFAOYSA-N
XLogP1.90
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119589222
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(3-amino-1-cyclohexyl-3-oxopropyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 126778692
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51085911
N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481441
[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride
CID 119469483
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 110001583
2-imidazol-1-yl-N-[1-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 75613538
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-(2-amino-1-cyclohexylethyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119590118
2-imidazol-1-yl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyridine-4-carboxamide
CID 94821889

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 119591870) is N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide is NCC(NC(=O)c1ccnc(-n2ccnc2)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is GBXLDUWJWBAQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c18-11-15(13-4-2-1-3-5-13)21-17(23)14-6-7-20-16(10-14)22-9-8-19-12-22/h6-10,12-13,15H,1-5,11,18H2,(H,21,23).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 119591870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).