2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide

C13H14N4O3 — CID 140548827

IUPAC2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(-c2[nH]ccc2C(N)=O)c1NC(N)=O
InChIInChI=1S/C13H14N4O3/c1-20-9-4-2-3-7(11(9)17-13(15)19)10-8(12(14)18)5-6-16-10/h2-6,16H,1H3,(H2,14,18)(H3,15,17,19)
InChIKeyUNXDIMKWFLJPKE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.28
Rot. Bonds4

About 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide

2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide (PubChem CID 140548827) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide
PubChem CID140548827
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide
SMILESCOc1cccc(-c2[nH]ccc2C(N)=O)c1NC(N)=O
InChIInChI=1S/C13H14N4O3/c1-20-9-4-2-3-7(11(9)17-13(15)19)10-8(12(14)18)5-6-16-10/h2-6,16H,1H3,(H2,14,18)(H3,15,17,19)
InChIKeyUNXDIMKWFLJPKE-UHFFFAOYSA-N
XLogP1.28
TPSA123.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide (CID 140548827) is 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide is COc1cccc(-c2[nH]ccc2C(N)=O)c1NC(N)=O.
What is the InChIKey of 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is UNXDIMKWFLJPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-9-4-2-3-7(11(9)17-13(15)19)10-8(12(14)18)5-6-16-10/h2-6,16H,1H3,(H2,14,18)(H3,15,17,19).
What are the key properties of 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide?
2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)-3-methoxyphenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 140548827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).