ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate

C15H18N4O3 — CID 167812597

IUPACethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H18N4O3/c1-3-22-13(20)5-9-19(2)15(21)11-4-6-16-12(10-11)14-17-7-8-18-14/h4,6-8,10H,3,5,9H2,1-2H3,(H,17,18)
InChIKeyJVRUDHHIIVRKJV-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.50
Rot. Bonds6

About ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate

ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate (PubChem CID 167812597) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate
PubChem CID167812597
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1
InChIInChI=1S/C15H18N4O3/c1-3-22-13(20)5-9-19(2)15(21)11-4-6-16-12(10-11)14-17-7-8-18-14/h4,6-8,10H,3,5,9H2,1-2H3,(H,17,18)
InChIKeyJVRUDHHIIVRKJV-UHFFFAOYSA-N
XLogP1.50
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(4-bromo-3-methylbenzoyl)-methylamino]propanoate
CID 112705954
ethyl 3-[(6-bromopyridine-3-carbonyl)-methylamino]propanoate
CID 66462957
ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate
CID 64525088
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 64519698
3-[[2-(dimethylamino)pyridine-4-carbonyl]-methylamino]propanoic acid
CID 60989436
ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate
CID 62239281
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64512332
ethyl 3-[(5-cyanopyridine-2-carbonyl)-methylamino]propanoate
CID 63717533
ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 103829871
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
ethyl 3-[3H-benzimidazole-5-carbonyl(pyridin-2-yl)amino]propanoate;hydrochloride
CID 71258111

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate?
The IUPAC name of ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate (CID 167812597) is ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate?
The canonical SMILES for ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)c1ccnc(-c2ncc[nH]2)c1.
What is the InChIKey of ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate?
The InChIKey is JVRUDHHIIVRKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-22-13(20)5-9-19(2)15(21)11-4-6-16-12(10-11)14-17-7-8-18-14/h4,6-8,10H,3,5,9H2,1-2H3,(H,17,18).
What are the key properties of ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate?
ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate has a molecular weight of 302.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate is sourced from PubChem (CID 167812597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).