2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide

C19H17N3O2 — CID 75500431

IUPAC2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)C(C#N)C(=O)NC1CC1
InChIInChI=1S/C19H17N3O2/c1-12-15(9-10-17(21-12)13-5-3-2-4-6-13)18(23)16(11-20)19(24)22-14-7-8-14/h2-6,9-10,14,16H,7-8H2,1H3,(H,22,24)
InChIKeyGIXLBXLVIQLWOK-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.66
Rot. Bonds5

About 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide

2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide (PubChem CID 75500431) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide.

Molecular Properties

Compound Name2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide
PubChem CID75500431
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)C(C#N)C(=O)NC1CC1
InChIInChI=1S/C19H17N3O2/c1-12-15(9-10-17(21-12)13-5-3-2-4-6-13)18(23)16(11-20)19(24)22-14-7-8-14/h2-6,9-10,14,16H,7-8H2,1H3,(H,22,24)
InChIKeyGIXLBXLVIQLWOK-UHFFFAOYSA-N
XLogP2.66
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide?
The IUPAC name of 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide (CID 75500431) is 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide.
What is the SMILES notation for 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide?
The canonical SMILES for 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide is Cc1nc(-c2ccccc2)ccc1C(=O)C(C#N)C(=O)NC1CC1.
What is the InChIKey of 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide?
The InChIKey is GIXLBXLVIQLWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-15(9-10-17(21-12)13-5-3-2-4-6-13)18(23)16(11-20)19(24)22-14-7-8-14/h2-6,9-10,14,16H,7-8H2,1H3,(H,22,24).
What are the key properties of 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide?
2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide has a molecular weight of 319.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopropyl-3-(2-methyl-6-phenyl-3-pyridinyl)-3-oxopropanamide is sourced from PubChem (CID 75500431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).