1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide

C13H15N3O — CID 90104072

IUPAC1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cccn1N)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-10(11-6-3-2-4-7-11)15-13(17)12-8-5-9-16(12)14/h2-10H,14H2,1H3,(H,15,17)
InChIKeyLJMPIQWNSKONLD-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.69
Rot. Bonds3

About 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide

1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide (PubChem CID 90104072) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide
PubChem CID90104072
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cccn1N)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-10(11-6-3-2-4-7-11)15-13(17)12-8-5-9-16(12)14/h2-10H,14H2,1H3,(H,15,17)
InChIKeyLJMPIQWNSKONLD-UHFFFAOYSA-N
XLogP1.69
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide (CID 90104072) is 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide is CC(NC(=O)c1cccn1N)c1ccccc1.
What is the InChIKey of 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is LJMPIQWNSKONLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(11-6-3-2-4-7-11)15-13(17)12-8-5-9-16(12)14/h2-10H,14H2,1H3,(H,15,17).
What are the key properties of 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide?
1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 90104072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).