3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide

C21H23N3O2 — CID 126444243

IUPAC3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
SMILESCN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2cccc(C#N)n2)c1
InChIInChI=1S/C21H23N3O2/c1-24(12-4-9-19-10-5-13-26-19)21(25)17-7-2-6-16(14-17)20-11-3-8-18(15-22)23-20/h2-3,6-8,11,14,19H,4-5,9-10,12-13H2,1H3/t19-/m1/s1
InChIKeyGPHGDBTWPWRORD-LJQANCHMSA-N
MW349.43 g/mol
LogP3.65
Rot. Bonds6

About 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide

3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide (PubChem CID 126444243) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
PubChem CID126444243
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide
SMILESCN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2cccc(C#N)n2)c1
InChIInChI=1S/C21H23N3O2/c1-24(12-4-9-19-10-5-13-26-19)21(25)17-7-2-6-16(14-17)20-11-3-8-18(15-22)23-20/h2-3,6-8,11,14,19H,4-5,9-10,12-13H2,1H3/t19-/m1/s1
InChIKeyGPHGDBTWPWRORD-LJQANCHMSA-N
XLogP3.65
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide with MolForge

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Related Compounds

3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231
4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126429778
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]benzamide
CID 125166689
3-[methyl-[3-(oxolan-2-yl)propyl]amino]benzonitrile
CID 65161053
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70734672
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 121495548
3-(6-cyano-2-pyridinyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 126429364
3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424383

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide?
The IUPAC name of 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide (CID 126444243) is 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide.
What is the SMILES notation for 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide?
The canonical SMILES for 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide is CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2cccc(C#N)n2)c1.
What is the InChIKey of 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide?
The InChIKey is GPHGDBTWPWRORD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24(12-4-9-19-10-5-13-26-19)21(25)17-7-2-6-16(14-17)20-11-3-8-18(15-22)23-20/h2-3,6-8,11,14,19H,4-5,9-10,12-13H2,1H3/t19-/m1/s1.
What are the key properties of 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide?
3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyano-2-pyridinyl)-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]benzamide is sourced from PubChem (CID 126444243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).