(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide

C16H25N3O2 — CID 99831648

IUPAC(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOCCCN(C)C(=O)N1CCC[C@H]1c1cccc(C)n1
InChIInChI=1S/C16H25N3O2/c1-13-7-4-8-14(17-13)15-9-5-11-19(15)16(20)18(2)10-6-12-21-3/h4,7-8,15H,5-6,9-12H2,1-3H3/t15-/m0/s1
InChIKeyUELJFDUIPGSZQM-HNNXBMFYSA-N
MW291.40 g/mol
LogP2.62
Rot. Bonds5

About (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide

(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 99831648) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID99831648
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOCCCN(C)C(=O)N1CCC[C@H]1c1cccc(C)n1
InChIInChI=1S/C16H25N3O2/c1-13-7-4-8-14(17-13)15-9-5-11-19(15)16(20)18(2)10-6-12-21-3/h4,7-8,15H,5-6,9-12H2,1-3H3/t15-/m0/s1
InChIKeyUELJFDUIPGSZQM-HNNXBMFYSA-N
XLogP2.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
3-(1-methylpyrazol-3-yl)-1-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-1-one
CID 164632753
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835797
1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 136515688
3-(3-methoxy-N-methylanilino)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110265428
methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate
CID 124863514
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 110254541
N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 139004178
3-methoxy-1-[(2S)-2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124978104
N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 102560985

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (CID 99831648) is (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is COCCCN(C)C(=O)N1CCC[C@H]1c1cccc(C)n1.
What is the InChIKey of (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is UELJFDUIPGSZQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-7-4-8-14(17-13)15-9-5-11-19(15)16(20)18(2)10-6-12-21-3/h4,7-8,15H,5-6,9-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99831648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).