ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate

C12H13N5O3 — CID 2362837

IUPACethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(N)n1
InChIInChI=1S/C12H13N5O3/c1-2-20-12(19)10-9(14-6-15-10)11(18)17-8-5-3-4-7(13)16-8/h3-6H,2H2,1H3,(H,14,15)(H3,13,16,17,18)
InChIKeyJNFCVAOQPPBTDD-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.82
Rot. Bonds4

About ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate

ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate (PubChem CID 2362837) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate
PubChem CID2362837
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Nameethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(N)n1
InChIInChI=1S/C12H13N5O3/c1-2-20-12(19)10-9(14-6-15-10)11(18)17-8-5-3-4-7(13)16-8/h3-6H,2H2,1H3,(H,14,15)(H3,13,16,17,18)
InChIKeyJNFCVAOQPPBTDD-UHFFFAOYSA-N
XLogP0.82
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate (CID 2362837) is ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(N)n1.
What is the InChIKey of ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate?
The InChIKey is JNFCVAOQPPBTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-2-20-12(19)10-9(14-6-15-10)11(18)17-8-5-3-4-7(13)16-8/h3-6H,2H2,1H3,(H,14,15)(H3,13,16,17,18).
What are the key properties of ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate?
ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate has a molecular weight of 275.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-amino-2-pyridinyl)carbamoyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 2362837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).