N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide

C22H20ClN3O2 — CID 108925742

IUPACN-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H20ClN3O2/c23-19-5-1-3-16(13-19)8-11-21(27)26-20-9-6-17(7-10-20)14-25-22(28)18-4-2-12-24-15-18/h1-7,9-10,12-13,15H,8,11,14H2,(H,25,28)(H,26,27)
InChIKeyVCVFDNNIXBIUQW-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.24
Rot. Bonds7

About N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925742) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925742
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H20ClN3O2/c23-19-5-1-3-16(13-19)8-11-21(27)26-20-9-6-17(7-10-20)14-25-22(28)18-4-2-12-24-15-18/h1-7,9-10,12-13,15H,8,11,14H2,(H,25,28)(H,26,27)
InChIKeyVCVFDNNIXBIUQW-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925744
N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925738
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[[4-[(2-chlorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925493
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925692
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (CID 108925742) is N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is O=C(CCc1cccc(Cl)c1)Nc1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is VCVFDNNIXBIUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-19-5-1-3-16(13-19)8-11-21(27)26-20-9-6-17(7-10-20)14-25-22(28)18-4-2-12-24-15-18/h1-7,9-10,12-13,15H,8,11,14H2,(H,25,28)(H,26,27).
What are the key properties of N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).