N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

C22H21N3O2 — CID 108926106

IUPACN-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cccc(CC(=O)NCc2ccccc2NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H21N3O2/c1-16-6-4-7-17(12-16)13-21(26)24-15-18-8-2-3-10-20(18)25-22(27)19-9-5-11-23-14-19/h2-12,14H,13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyULDBLXVLCDQOGD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.50
Rot. Bonds6

About N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926106) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926106
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cccc(CC(=O)NCc2ccccc2NC(=O)c2cccnc2)c1
InChIInChI=1S/C22H21N3O2/c1-16-6-4-7-17(12-16)13-21(26)24-15-18-8-2-3-10-20(18)25-22(27)19-9-5-11-23-14-19/h2-12,14H,13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyULDBLXVLCDQOGD-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105
N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925892
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926146

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 108926106) is N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is Cc1cccc(CC(=O)NCc2ccccc2NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ULDBLXVLCDQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-6-4-7-17(12-16)13-21(26)24-15-18-8-2-3-10-20(18)25-22(27)19-9-5-11-23-14-19/h2-12,14H,13,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).