3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide

C20H21N3O — CID 118795062

IUPAC3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cccc(-c2cccnc2C#N)c1
InChIInChI=1S/C20H21N3O/c1-2-11-23(14-15-8-9-15)20(24)17-6-3-5-16(12-17)18-7-4-10-22-19(18)13-21/h3-7,10,12,15H,2,8-9,11,14H2,1H3
InChIKeyDISFIRUORHFMRS-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.88
Rot. Bonds6

About 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide

3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide (PubChem CID 118795062) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide
PubChem CID118795062
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1cccc(-c2cccnc2C#N)c1
InChIInChI=1S/C20H21N3O/c1-2-11-23(14-15-8-9-15)20(24)17-6-3-5-16(12-17)18-7-4-10-22-19(18)13-21/h3-7,10,12,15H,2,8-9,11,14H2,1H3
InChIKeyDISFIRUORHFMRS-UHFFFAOYSA-N
XLogP3.88
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
ethyl 4-[[3-(2-cyano-3-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
CID 118772494
N-(cyclopropylmethyl)-N-propyl-1H-indole-6-carboxamide
CID 61060523
N-(cyclopropylmethyl)-3-(3-hydroxy-3-methylbutyl)-N-propylbenzamide
CID 56884216
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(2-cyano-3-pyridinyl)benzamide
CID 125161692
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
2-amino-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 63939345
N-(cyclopropylmethyl)-3,4,5-trimethoxy-N-propylbenzamide
CID 78785886
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
CID 86991083
3-(dipropylcarbamoyl)-5-quinolin-8-ylbenzoic acid
CID 21085789
N-(cyclopropylmethyl)-3-(methylamino)-4-nitro-N-propylbenzamide
CID 62682299

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide?
The IUPAC name of 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide (CID 118795062) is 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide.
What is the SMILES notation for 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide?
The canonical SMILES for 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1cccc(-c2cccnc2C#N)c1.
What is the InChIKey of 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide?
The InChIKey is DISFIRUORHFMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-11-23(14-15-8-9-15)20(24)17-6-3-5-16(12-17)18-7-4-10-22-19(18)13-21/h3-7,10,12,15H,2,8-9,11,14H2,1H3.
What are the key properties of 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide?
3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyano-3-pyridinyl)-N-(cyclopropylmethyl)-N-propylbenzamide is sourced from PubChem (CID 118795062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).