N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide

C22H21N3O2 — CID 108925345

IUPACN-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(CCC(=O)Nc2ccccc2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H21N3O2/c1-16-8-10-17(11-9-16)12-13-21(26)24-19-6-2-3-7-20(19)25-22(27)18-5-4-14-23-15-18/h2-11,14-15H,12-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyNJXGCHLHNUIDJC-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.21
Rot. Bonds6

About N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide

N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide (PubChem CID 108925345) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
PubChem CID108925345
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(CCC(=O)Nc2ccccc2NC(=O)c2cccnc2)cc1
InChIInChI=1S/C22H21N3O2/c1-16-8-10-17(11-9-16)12-13-21(26)24-19-6-2-3-7-20(19)25-22(27)18-5-4-14-23-15-18/h2-11,14-15H,12-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyNJXGCHLHNUIDJC-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxypropanoylamino)phenyl]pyridine-3-carboxamide
CID 108925343
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926146
N-[2-[4-(2-methylphenoxy)butanoylamino]phenyl]pyridine-3-carboxamide
CID 108925317
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925379
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926042
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide (CID 108925345) is N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide is Cc1ccc(CCC(=O)Nc2ccccc2NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide?
The InChIKey is NJXGCHLHNUIDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-8-10-17(11-9-16)12-13-21(26)24-19-6-2-3-7-20(19)25-22(27)18-5-4-14-23-15-18/h2-11,14-15H,12-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide?
N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).