(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide

C19H24N4O2 — CID 128977916

IUPAC(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)c(=O)n1C
InChIInChI=1S/C19H24N4O2/c1-13-11-23(17-6-4-5-9-20-17)12-16(13)18(24)21-10-15-8-7-14(2)22(3)19(15)25/h4-9,13,16H,10-12H2,1-3H3,(H,21,24)/t13-,16-/m1/s1
InChIKeyJRIKOBVSTCWPLU-CZUORRHYSA-N
MW340.43 g/mol
LogP1.48
Rot. Bonds4

About (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 128977916) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID128977916
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)c(=O)n1C
InChIInChI=1S/C19H24N4O2/c1-13-11-23(17-6-4-5-9-20-17)12-16(13)18(24)21-10-15-8-7-14(2)22(3)19(15)25/h4-9,13,16H,10-12H2,1-3H3,(H,21,24)/t13-,16-/m1/s1
InChIKeyJRIKOBVSTCWPLU-CZUORRHYSA-N
XLogP1.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide (CID 128977916) is (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide is Cc1ccc(CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)c(=O)n1C.
What is the InChIKey of (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is JRIKOBVSTCWPLU-CZUORRHYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-11-23(17-6-4-5-9-20-17)12-16(13)18(24)21-10-15-8-7-14(2)22(3)19(15)25/h4-9,13,16H,10-12H2,1-3H3,(H,21,24)/t13-,16-/m1/s1.
What are the key properties of (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 128977916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).