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

C24H22N4O — CID 71840976

IUPAC1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C24H22N4O/c1-18-5-7-19(8-6-18)16-28-17-21(20-9-12-25-13-10-20)14-23(28)24(29)27-15-22-4-2-3-11-26-22/h2-14,17H,15-16H2,1H3,(H,27,29)
InChIKeyRBCGJNIYYMZKNP-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.23
Rot. Bonds6

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

1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 71840976) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID71840976
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C24H22N4O/c1-18-5-7-19(8-6-18)16-28-17-21(20-9-12-25-13-10-20)14-23(28)24(29)27-15-22-4-2-3-11-26-22/h2-14,17H,15-16H2,1H3,(H,27,29)
InChIKeyRBCGJNIYYMZKNP-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 42810255
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
2-(3,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46006079
2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42835907
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3880798
N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840999
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443245

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (CID 71840976) is 1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is Cc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is RBCGJNIYYMZKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-18-5-7-19(8-6-18)16-28-17-21(20-9-12-25-13-10-20)14-23(28)24(29)27-15-22-4-2-3-11-26-22/h2-14,17H,15-16H2,1H3,(H,27,29).
What are the key properties of 1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 71840976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).