4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide

C15H12N4O2 — CID 2450527

IUPAC4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide
SMILESN#CCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H12N4O2/c16-8-7-14(20)18-12-5-3-11(4-6-12)15(21)19-13-2-1-9-17-10-13/h1-6,9-10H,7H2,(H,18,20)(H,19,21)
InChIKeyWSYVDQZVPBYTFO-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.19
Rot. Bonds4

About 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide

4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 2450527) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID2450527
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide
SMILESN#CCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C15H12N4O2/c16-8-7-14(20)18-12-5-3-11(4-6-12)15(21)19-13-2-1-9-17-10-13/h1-6,9-10H,7H2,(H,18,20)(H,19,21)
InChIKeyWSYVDQZVPBYTFO-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

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N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
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2-chloro-N-(pyridin-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide (CID 2450527) is 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide is N#CCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is WSYVDQZVPBYTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-8-7-14(20)18-12-5-3-11(4-6-12)15(21)19-13-2-1-9-17-10-13/h1-6,9-10H,7H2,(H,18,20)(H,19,21).
What are the key properties of 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide?
4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide 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 4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2450527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).