N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

C21H18ClN3O2 — CID 47064649

IUPACN-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H18ClN3O2/c22-18-6-4-15(5-7-18)13-20(26)24-14-16-2-1-3-19(12-16)25-21(27)17-8-10-23-11-9-17/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyJGBNZFKMWUDIAC-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.85
Rot. Bonds6

About N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 47064649) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID47064649
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H18ClN3O2/c22-18-6-4-15(5-7-18)13-20(26)24-14-16-2-1-3-19(12-16)25-21(27)17-8-10-23-11-9-17/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyJGBNZFKMWUDIAC-UHFFFAOYSA-N
XLogP3.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 47064659
[4-[[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108932142
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[(4-aminopentanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120564934
N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903588
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
1-[2-oxo-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549546
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
2-(3-chlorophenyl)-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55978480
N-[3-[[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903196

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 47064649) is N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is O=C(Cc1ccc(Cl)cc1)NCc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is JGBNZFKMWUDIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-18-6-4-15(5-7-18)13-20(26)24-14-16-2-1-3-19(12-16)25-21(27)17-8-10-23-11-9-17/h1-12H,13-14H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 47064649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).