N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide

C15H12N4O2 — CID 108922649

IUPACN-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESN#CCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C15H12N4O2/c16-7-6-14(20)18-12-4-1-5-13(9-12)19-15(21)11-3-2-8-17-10-11/h1-5,8-10H,6H2,(H,18,20)(H,19,21)
InChIKeyDSOIYSAOJDGMRF-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.19
Rot. Bonds4

About N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide

N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 108922649) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID108922649
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
SMILESN#CCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C15H12N4O2/c16-7-6-14(20)18-12-4-1-5-13(9-12)19-15(21)11-3-2-8-17-10-11/h1-5,8-10H,6H2,(H,18,20)(H,19,21)
InChIKeyDSOIYSAOJDGMRF-UHFFFAOYSA-N
XLogP2.19
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925213
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,5-dimethoxybenzamide
CID 108922675
N-(3-acetylphenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 4846463
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
CID 39188157
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide (CID 108922649) is N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide is N#CCC(=O)Nc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is DSOIYSAOJDGMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-7-6-14(20)18-12-4-1-5-13(9-12)19-15(21)11-3-2-8-17-10-11/h1-5,8-10H,6H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide?
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108922649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).