1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide

C25H24N4O — CID 71840985

IUPAC1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
SMILESCc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NC(C)c1cccnc1
InChIInChI=1S/C25H24N4O/c1-18-6-3-4-7-22(18)16-29-17-23(20-9-12-26-13-10-20)14-24(29)25(30)28-19(2)21-8-5-11-27-15-21/h3-15,17,19H,16H2,1-2H3,(H,28,30)
InChIKeyVTMWXWDDCVRZDK-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.79
Rot. Bonds6

About 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide

1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide (PubChem CID 71840985) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
PubChem CID71840985
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
SMILESCc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NC(C)c1cccnc1
InChIInChI=1S/C25H24N4O/c1-18-6-3-4-7-22(18)16-29-17-23(20-9-12-26-13-10-20)14-24(29)25(30)28-19(2)21-8-5-11-27-15-21/h3-15,17,19H,16H2,1-2H3,(H,28,30)
InChIKeyVTMWXWDDCVRZDK-UHFFFAOYSA-N
XLogP4.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841015
1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 53147781
N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840999
1-methyl-N-(1-phenylethyl)-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841032
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
1-[(2-chlorophenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 51647994
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105087

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide (CID 71840985) is 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide is Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NC(C)c1cccnc1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide?
The InChIKey is VTMWXWDDCVRZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-6-3-4-7-22(18)16-29-17-23(20-9-12-26-13-10-20)14-24(29)25(30)28-19(2)21-8-5-11-27-15-21/h3-15,17,19H,16H2,1-2H3,(H,28,30).
What are the key properties of 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide?
1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 71840985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).