N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide

C13H20N4O — CID 124952288

IUPACN-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC[C@H]1c1ccnc(NC)c1
InChIInChI=1S/C13H20N4O/c1-14-12-8-10(5-6-16-12)11-4-3-7-17(11)9-13(18)15-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,14,16)(H,15,18)/t11-/m0/s1
InChIKeyDNHRHCZRUSNEPU-NSHDSACASA-N
MW248.33 g/mol
LogP1.01
Rot. Bonds4

About N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide

N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide (PubChem CID 124952288) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
PubChem CID124952288
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC[C@H]1c1ccnc(NC)c1
InChIInChI=1S/C13H20N4O/c1-14-12-8-10(5-6-16-12)11-4-3-7-17(11)9-13(18)15-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,14,16)(H,15,18)/t11-/m0/s1
InChIKeyDNHRHCZRUSNEPU-NSHDSACASA-N
XLogP1.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124989627
2-cyclopentyl-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 127246703
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
N-methyl-4-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridin-2-amine
CID 124964991
N-methyl-4-[(2S)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridin-2-amine
CID 125011932
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
2-(benzotriazol-2-yl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110105592
N,N-dimethyl-2-[(2R)-2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124971029
4-[(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylpyridin-2-amine
CID 125022357
N,N-dimethyl-2-[2-[2-(pyrazin-2-ylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110097688
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124948233

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide (CID 124952288) is N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide is CNC(=O)CN1CCC[C@H]1c1ccnc(NC)c1.
What is the InChIKey of N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide?
The InChIKey is DNHRHCZRUSNEPU-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-12-8-10(5-6-16-12)11-4-3-7-17(11)9-13(18)15-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,14,16)(H,15,18)/t11-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide?
N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124952288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).