N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

C22H21N3O2 — CID 108926065

IUPACN-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1C
InChIInChI=1S/C22H21N3O2/c1-15-9-10-17(12-16(15)2)22(27)25-20-8-4-3-6-18(20)14-24-21(26)19-7-5-11-23-13-19/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQPXQTXGSHPDRAX-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.88
Rot. Bonds5

About N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926065) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926065
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1C
InChIInChI=1S/C22H21N3O2/c1-15-9-10-17(12-16(15)2)22(27)25-20-8-4-3-6-18(20)14-24-21(26)19-7-5-11-23-13-19/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQPXQTXGSHPDRAX-UHFFFAOYSA-N
XLogP3.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105
N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925872
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926215
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926065) is N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1C.
What is the InChIKey of N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QPXQTXGSHPDRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-9-10-17(12-16(15)2)22(27)25-20-8-4-3-6-18(20)14-24-21(26)19-7-5-11-23-13-19/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).