2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide

C17H13N5O — CID 168544607

IUPAC2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC=C(C#N)C#N)n1
InChIInChI=1S/C17H13N5O/c1-12-5-4-8-16(21-12)22-17(23)14-6-2-3-7-15(14)20-11-13(9-18)10-19/h2-8,11,20H,1H3,(H,21,22,23)
InChIKeyRIBKBQYFJFGIPA-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.99
Rot. Bonds4

About 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide

2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 168544607) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID168544607
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC=C(C#N)C#N)n1
InChIInChI=1S/C17H13N5O/c1-12-5-4-8-16(21-12)22-17(23)14-6-2-3-7-15(14)20-11-13(9-18)10-19/h2-8,11,20H,1H3,(H,21,22,23)
InChIKeyRIBKBQYFJFGIPA-UHFFFAOYSA-N
XLogP2.99
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
2-(carbamothioylamino)-N-(6-methyl-2-pyridinyl)benzamide
CID 169359188
2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide
CID 168541901
2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide
CID 26485421
methyl 2-[[(Z)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]prop-2-enoyl]amino]benzoate
CID 108851572
N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 17233954
2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N-(2,3-dimethylphenyl)benzamide
CID 169343077
(E)-3-(4-tert-butylphenyl)-2-cyano-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 948947
N-[6-(2,2-dicyanoethenylamino)-2-pyridinyl]-4-nitrobenzamide
CID 2798206
N-(6-methyl-2-pyridinyl)-1H-benzimidazole-2-carboxamide
CID 14371315
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542
N-(6-methylpyridin-1-ium-2-yl)-2-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 4753622

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide (CID 168544607) is 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC=C(C#N)C#N)n1.
What is the InChIKey of 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is RIBKBQYFJFGIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-12-5-4-8-16(21-12)22-17(23)14-6-2-3-7-15(14)20-11-13(9-18)10-19/h2-8,11,20H,1H3,(H,21,22,23).
What are the key properties of 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide?
2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 303.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyanoethenylamino)-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 168544607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).