1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide

C14H19N5O2 — CID 107496780

IUPAC1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
SMILESCCCn1cc(NC(=O)c2cn(CCN)cn2)ccc1=O
InChIInChI=1S/C14H19N5O2/c1-2-6-19-8-11(3-4-13(19)20)17-14(21)12-9-18(7-5-15)10-16-12/h3-4,8-10H,2,5-7,15H2,1H3,(H,17,21)
InChIKeyYHRHECRKEOFSQG-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.67
Rot. Bonds6

About 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide (PubChem CID 107496780) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
PubChem CID107496780
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
SMILESCCCn1cc(NC(=O)c2cn(CCN)cn2)ccc1=O
InChIInChI=1S/C14H19N5O2/c1-2-6-19-8-11(3-4-13(19)20)17-14(21)12-9-18(7-5-15)10-16-12/h3-4,8-10H,2,5-7,15H2,1H3,(H,17,21)
InChIKeyYHRHECRKEOFSQG-UHFFFAOYSA-N
XLogP0.67
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
CID 107498222
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
2-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66388692
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
N-(6-oxo-1-propyl-3-pyridinyl)-2H-triazole-4-carboxamide
CID 47339542
5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide (CID 107496780) is 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide is CCCn1cc(NC(=O)c2cn(CCN)cn2)ccc1=O.
What is the InChIKey of 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide?
The InChIKey is YHRHECRKEOFSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-6-19-8-11(3-4-13(19)20)17-14(21)12-9-18(7-5-15)10-16-12/h3-4,8-10H,2,5-7,15H2,1H3,(H,17,21).
What are the key properties of 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 107496780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).