4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide

C20H22N4O — CID 128997530

IUPAC4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H22N4O/c1-23-11-9-18(19(23)17-4-3-10-22-13-17)14-24(2)20(25)16-7-5-15(12-21)6-8-16/h3-8,10,13,18-19H,9,11,14H2,1-2H3/t18-,19-/m0/s1
InChIKeyMKTWQSVJAWNFDN-OALUTQOASA-N
MW334.42 g/mol
LogP2.72
Rot. Bonds4

About 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide

4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide (PubChem CID 128997530) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
PubChem CID128997530
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H22N4O/c1-23-11-9-18(19(23)17-4-3-10-22-13-17)14-24(2)20(25)16-7-5-15(12-21)6-8-16/h3-8,10,13,18-19H,9,11,14H2,1-2H3/t18-,19-/m0/s1
InChIKeyMKTWQSVJAWNFDN-OALUTQOASA-N
XLogP2.72
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 128996545
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 128972313
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 128971727
N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 128970240
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129004766
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 128997533
5-chloro-6-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]pyridine-3-carbonitrile
CID 128993168
(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129335114
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1-benzofuran-3-carboxamide
CID 128972513
2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 128995545
5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide
CID 128996808
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide
CID 129006575

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide (CID 128997530) is 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide is CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide?
The InChIKey is MKTWQSVJAWNFDN-OALUTQOASA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-11-9-18(19(23)17-4-3-10-22-13-17)14-24(2)20(25)16-7-5-15(12-21)6-8-16/h3-8,10,13,18-19H,9,11,14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide?
4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 128997530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).