1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide

C20H20N4O2 — CID 71929440

IUPAC1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)n1C
InChIInChI=1S/C20H20N4O2/c1-14-5-10-18(24(14)2)20(26)22-12-15-6-8-16(9-7-15)19(25)23-17-4-3-11-21-13-17/h3-11,13H,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyWCINJJOWVWVBFA-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.91
Rot. Bonds5

About 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide

1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 71929440) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide
PubChem CID71929440
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)n1C
InChIInChI=1S/C20H20N4O2/c1-14-5-10-18(24(14)2)20(26)22-12-15-6-8-16(9-7-15)19(25)23-17-4-3-11-21-13-17/h3-11,13H,12H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyWCINJJOWVWVBFA-UHFFFAOYSA-N
XLogP2.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 116650019
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide
CID 50914021
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid
CID 146352508
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
4-[[(2-fluorophenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50915038

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide (CID 71929440) is 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)n1C.
What is the InChIKey of 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is WCINJJOWVWVBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-5-10-18(24(14)2)20(26)22-12-15-6-8-16(9-7-15)19(25)23-17-4-3-11-21-13-17/h3-11,13H,12H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide?
1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 71929440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).