N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide

C21H19N3O2 — CID 17222895

IUPACN-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H19N3O2/c25-20(10-9-16-5-2-1-3-6-16)23-18-7-4-8-19(15-18)24-21(26)17-11-13-22-14-12-17/h1-8,11-15H,9-10H2,(H,23,25)(H,24,26)
InChIKeyBRSNPDVVOZDSQV-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.91
Rot. Bonds6

About N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide

N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide (PubChem CID 17222895) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
PubChem CID17222895
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H19N3O2/c25-20(10-9-16-5-2-1-3-6-16)23-18-7-4-8-19(15-18)24-21(26)17-11-13-22-14-12-17/h1-8,11-15H,9-10H2,(H,23,25)(H,24,26)
InChIKeyBRSNPDVVOZDSQV-UHFFFAOYSA-N
XLogP3.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
CID 17222980
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255
[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 47064659
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
3-methyl-N-[4-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54837534

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide (CID 17222895) is N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide is O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is BRSNPDVVOZDSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(10-9-16-5-2-1-3-6-16)23-18-7-4-8-19(15-18)24-21(26)17-11-13-22-14-12-17/h1-8,11-15H,9-10H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide?
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 17222895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).