ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate

C12H12N4O3 — CID 604410

IUPACethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1ccccn1
InChIInChI=1S/C12H12N4O3/c1-2-19-12(18)10-9(14-7-15-10)11(17)16-8-5-3-4-6-13-8/h3-7H,2H2,1H3,(H,14,15)(H,13,16,17)
InChIKeyNLPHFAQEHGHOLE-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.23
Rot. Bonds4

About ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate

ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate (PubChem CID 604410) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate
PubChem CID604410
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Nameethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1ccccn1
InChIInChI=1S/C12H12N4O3/c1-2-19-12(18)10-9(14-7-15-10)11(17)16-8-5-3-4-6-13-8/h3-7H,2H2,1H3,(H,14,15)(H,13,16,17)
InChIKeyNLPHFAQEHGHOLE-UHFFFAOYSA-N
XLogP1.23
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
ethyl 5-(phenylcarbamoyl)-1H-imidazole-4-carboxylate
CID 564878
ethyl 4-[(4-nitrophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 597462
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
ethyl 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 959599
4-[(2-Pyridinylamino)carbonyl]-1H-imidazole-5-carboxylic acid
CID 564988
5-(6-Amino-pyridin-2-ylcarbamoyl)-3H-imidazole-4-carboxylic acid, ethyl ester
CID 2362837
ethyl 4-{[(2-methylphenyl)amino]carbonyl}-1H-imidazole-5-carboxylate
CID 572364
N5-methyl-N4-(2-pyridyl)-1H-imidazole-4,5-dicarboxamide
CID 851158
ethyl 4-(pyridin-4-ylcarbamoyl)-1H-imidazole-5-carboxylate
CID 975176
3-[(6-Acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 2813206
Cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 3192298

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate (CID 604410) is ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)Nc1ccccn1.
What is the InChIKey of ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate?
The InChIKey is NLPHFAQEHGHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-2-19-12(18)10-9(14-7-15-10)11(17)16-8-5-3-4-6-13-8/h3-7H,2H2,1H3,(H,14,15)(H,13,16,17).
What are the key properties of ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate?
ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 604410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).