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

C27H23N3O2 — CID 108925855

IUPACN-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C27H23N3O2/c31-26(23-15-9-17-28-18-23)29-19-22-14-7-8-16-24(22)30-27(32)25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-18,25H,19H2,(H,29,31)(H,30,32)
InChIKeyLTFDGEZHZUEOCI-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.78
Rot. Bonds7

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

N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925855) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925855
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC NameN-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C27H23N3O2/c31-26(23-15-9-17-28-18-23)29-19-22-14-7-8-16-24(22)30-27(32)25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-18,25H,19H2,(H,29,31)(H,30,32)
InChIKeyLTFDGEZHZUEOCI-UHFFFAOYSA-N
XLogP4.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899
N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926215
N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925872
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108925855) is N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is LTFDGEZHZUEOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-26(23-15-9-17-28-18-23)29-19-22-14-7-8-16-24(22)30-27(32)25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-18,25H,19H2,(H,29,31)(H,30,32).
What are the key properties of N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).