(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

C13H19N3O2 — CID 128975610

IUPAC(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2ccc(C)cn2)N(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-4-5-12(14-7-9)15-13(17)11-6-10(18-3)8-16(11)2/h4-5,7,10-11H,6,8H2,1-3H3,(H,14,15,17)/t10-,11-/m0/s1
InChIKeyDCWSJRBPAYXLOG-QWRGUYRKSA-N
MW249.31 g/mol
LogP1.05
Rot. Bonds3

About (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 128975610) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID128975610
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2ccc(C)cn2)N(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-4-5-12(14-7-9)15-13(17)11-6-10(18-3)8-16(11)2/h4-5,7,10-11H,6,8H2,1-3H3,(H,14,15,17)/t10-,11-/m0/s1
InChIKeyDCWSJRBPAYXLOG-QWRGUYRKSA-N
XLogP1.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 128977951
(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 154757165
(2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128986038
(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128987454
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128985996
trans-(1S,3S)-3-methyl-N-(5-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 58763333
3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6467718
(2S,4S)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 154757173
(2S,4S)-N-[1-(4-chlorophenyl)cyclobutyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128982495
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 128975610) is (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2ccc(C)cn2)N(C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is DCWSJRBPAYXLOG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-4-5-12(14-7-9)15-13(17)11-6-10(18-3)8-16(11)2/h4-5,7,10-11H,6,8H2,1-3H3,(H,14,15,17)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 128975610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).