1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide

C19H19N3O — CID 71841032

IUPAC1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccncc2)cn1C)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-14(15-6-4-3-5-7-15)21-19(23)18-12-17(13-22(18)2)16-8-10-20-11-9-16/h3-14H,1-2H3,(H,21,23)
InChIKeyWRMXTERSFJJGDR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.58
Rot. Bonds4

About 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide

1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 71841032) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID71841032
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccncc2)cn1C)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-14(15-6-4-3-5-7-15)21-19(23)18-12-17(13-22(18)2)16-8-10-20-11-9-16/h3-14H,1-2H3,(H,21,23)
InChIKeyWRMXTERSFJJGDR-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159767
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide
CID 50847027
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 71840985
1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 71983829
2-ethyl-5-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 71983834
N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851024
4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 43643647
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414
N-cyclohexyl-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159731

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide (CID 71841032) is 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide is CC(NC(=O)c1cc(-c2ccncc2)cn1C)c1ccccc1.
What is the InChIKey of 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is WRMXTERSFJJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14(15-6-4-3-5-7-15)21-19(23)18-12-17(13-22(18)2)16-8-10-20-11-9-16/h3-14H,1-2H3,(H,21,23).
What are the key properties of 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide?
1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 71841032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).