3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide

C16H13N3O — CID 110723084

IUPAC3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide
SMILESN#Cc1cccc(C(=O)N(c2ccccn2)C2CC2)c1
InChIInChI=1S/C16H13N3O/c17-11-12-4-3-5-13(10-12)16(20)19(14-7-8-14)15-6-1-2-9-18-15/h1-6,9-10,14H,7-8H2
InChIKeyIQHSGKWCMRIOIC-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.76
Rot. Bonds3

About 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide

3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide (PubChem CID 110723084) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide
PubChem CID110723084
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide
SMILESN#Cc1cccc(C(=O)N(c2ccccn2)C2CC2)c1
InChIInChI=1S/C16H13N3O/c17-11-12-4-3-5-13(10-12)16(20)19(14-7-8-14)15-6-1-2-9-18-15/h1-6,9-10,14H,7-8H2
InChIKeyIQHSGKWCMRIOIC-UHFFFAOYSA-N
XLogP2.76
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091375
3-cyano-N-cyclopentyl-N-cyclopropylbenzamide
CID 110872922
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 115116827
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481
3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209992
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
N,N-ditert-butyl-3-cyanobenzamide
CID 59614204
[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate
CID 51729581

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide (CID 110723084) is 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide is N#Cc1cccc(C(=O)N(c2ccccn2)C2CC2)c1.
What is the InChIKey of 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide?
The InChIKey is IQHSGKWCMRIOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-11-12-4-3-5-13(10-12)16(20)19(14-7-8-14)15-6-1-2-9-18-15/h1-6,9-10,14H,7-8H2.
What are the key properties of 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide?
3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 110723084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).