2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide

C13H14N4O2 — CID 25005711

IUPAC2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)cc1
InChIInChI=1S/C13H14N4O2/c1-7-2-4-8(5-3-7)10-6-9(11(14)18)12(16-10)17-13(15)19/h2-6,16H,1H3,(H2,14,18)(H3,15,17,19)
InChIKeyDKOYTUQYHQLVTF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.58
Rot. Bonds3

About 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 25005711) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID25005711
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)cc1
InChIInChI=1S/C13H14N4O2/c1-7-2-4-8(5-3-7)10-6-9(11(14)18)12(16-10)17-13(15)19/h2-6,16H,1H3,(H2,14,18)(H3,15,17,19)
InChIKeyDKOYTUQYHQLVTF-UHFFFAOYSA-N
XLogP1.58
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-5-[4-(hydroxymethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 59285862
2-(carbamoylamino)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxamide
CID 59285840
[2-[4-carbamoyl-5-(carbamoylamino)-1H-pyrrol-2-yl]-4-methylphenyl] acetate
CID 145464632
2-(carbamoylamino)-5-pyridin-3-yl-1H-pyrrole-3-carboxamide
CID 59285878
2-(carbamoylamino)-5-[3-(methylaminomethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 59285824
2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide
CID 145464595
2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285843
2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212
5-[4-(4-methylphenyl)phenyl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 175983972
2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide
CID 90415520
ethyl 4-[2-[4-carbamoyl-5-(carbamoylamino)-1H-pyrrol-2-yl]phenoxy]butanoate
CID 59285985

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide (CID 25005711) is 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide is Cc1ccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is DKOYTUQYHQLVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-7-2-4-8(5-3-7)10-6-9(11(14)18)12(16-10)17-13(15)19/h2-6,16H,1H3,(H2,14,18)(H3,15,17,19).
What are the key properties of 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25005711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).