2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide

C12H13N3O — CID 15871299

IUPAC2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide
SMILESCc1c(-c2ccccc2)[nH]c(N)c1C(N)=O
InChIInChI=1S/C12H13N3O/c1-7-9(12(14)16)11(13)15-10(7)8-5-3-2-4-6-8/h2-6,15H,13H2,1H3,(H2,14,16)
InChIKeyOKCBUMJKMMSDBU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.67
Rot. Bonds2

About 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide

2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 15871299) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide
PubChem CID15871299
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide
SMILESCc1c(-c2ccccc2)[nH]c(N)c1C(N)=O
InChIInChI=1S/C12H13N3O/c1-7-9(12(14)16)11(13)15-10(7)8-5-3-2-4-6-8/h2-6,15H,13H2,1H3,(H2,14,16)
InChIKeyOKCBUMJKMMSDBU-UHFFFAOYSA-N
XLogP1.67
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
Ethanone, 1-(2,4-dimethyl-5-phenyl-1H-pyrrol-3-yl)-
CID 56251
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-Amino-6-(4-Bromophenyl)-5-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566679
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
6-Benzoyl-2-methyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136951107
3H,4H,9H-pyrimido[4,5-b]indol-4-one
CID 135436036
2-Amino-5-(P-Tolyl)-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566676
2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 12478742
2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135884568

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide (CID 15871299) is 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide is Cc1c(-c2ccccc2)[nH]c(N)c1C(N)=O.
What is the InChIKey of 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is OKCBUMJKMMSDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-9(12(14)16)11(13)15-10(7)8-5-3-2-4-6-8/h2-6,15H,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide?
2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-5-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 15871299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).