(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C12H17N3O — CID 61155587

IUPAC(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1cccnc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H17N3O/c1-15(9-10-4-2-6-13-8-10)12(16)11-5-3-7-14-11/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m0/s1
InChIKeyJXNXWYDOKYOYGA-NSHDSACASA-N
MW219.29 g/mol
LogP0.79
Rot. Bonds3

About (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 61155587) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID61155587
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1cccnc1)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H17N3O/c1-15(9-10-4-2-6-13-8-10)12(16)11-5-3-7-14-11/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m0/s1
InChIKeyJXNXWYDOKYOYGA-NSHDSACASA-N
XLogP0.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234
(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 104901002
N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 54873750
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104900946
2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64824292
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
(2S)-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 61165078
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119345493
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 61155587) is (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CN(Cc1cccnc1)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is JXNXWYDOKYOYGA-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(9-10-4-2-6-13-8-10)12(16)11-5-3-7-14-11/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61155587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).