1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide

C14H19N5O — CID 107495803

IUPAC1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C14H19N5O/c1-18(8-5-12-4-2-3-7-16-12)14(20)13-10-19(9-6-15)11-17-13/h2-4,7,10-11H,5-6,8-9,15H2,1H3
InChIKeyKWGUMNDPBIICBE-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.55
Rot. Bonds6

About 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide (PubChem CID 107495803) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide
PubChem CID107495803
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide
SMILESCN(CCc1ccccn1)C(=O)c1cn(CCN)cn1
InChIInChI=1S/C14H19N5O/c1-18(8-5-12-4-2-3-7-16-12)14(20)13-10-19(9-6-15)11-17-13/h2-4,7,10-11H,5-6,8-9,15H2,1H3
InChIKeyKWGUMNDPBIICBE-UHFFFAOYSA-N
XLogP0.55
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
1-(2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 60589600
1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
CID 107495717
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172548
methyl 3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-methylamino]-2-methylpropanoate
CID 107497281
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-5-(2-methylpropyl)-4-oxo-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194371
2-(2-fluorophenyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 60616184
3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115646430

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide (CID 107495803) is 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide is CN(CCc1ccccn1)C(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide?
The InChIKey is KWGUMNDPBIICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(8-5-12-4-2-3-7-16-12)14(20)13-10-19(9-6-15)11-17-13/h2-4,7,10-11H,5-6,8-9,15H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide is sourced from PubChem (CID 107495803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).