N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide

C26H24N4O2 — CID 71841015

IUPACN-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccncc3)cn2Cc2ccccc2C)cc1
InChIInChI=1S/C26H24N4O2/c1-18-5-3-4-6-21(18)16-30-17-22(20-11-13-27-14-12-20)15-25(30)26(32)29-24-9-7-23(8-10-24)28-19(2)31/h3-15,17H,16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyZXKWDUDZSDSEQK-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.12
Rot. Bonds6

About N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide

N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 71841015) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID71841015
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccncc3)cn2Cc2ccccc2C)cc1
InChIInChI=1S/C26H24N4O2/c1-18-5-3-4-6-21(18)16-30-17-22(20-11-13-27-14-12-20)15-25(30)26(32)29-24-9-7-23(8-10-24)28-19(2)31/h3-15,17H,16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyZXKWDUDZSDSEQK-UHFFFAOYSA-N
XLogP5.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840999
1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 71840985
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone
CID 71841010
N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159829
(4-cyclohexylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrol-2-yl]methanone
CID 71840996
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 71840976
N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843861
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
4-bromo-1-[(2-methylphenyl)methyl]pyrrole-2-carboxylic acid
CID 114604143
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
6-(3-acetamidoanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368688

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide (CID 71841015) is N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccncc3)cn2Cc2ccccc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is ZXKWDUDZSDSEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-18-5-3-4-6-21(18)16-30-17-22(20-11-13-27-14-12-20)15-25(30)26(32)29-24-9-7-23(8-10-24)28-19(2)31/h3-15,17H,16H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 71841015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).