N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide

C19H28N6O — CID 91923193

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1CN(C)C
InChIInChI=1S/C19H28N6O/c1-15-20-8-9-25(15)14-19(26)22-18-13-24(11-16(18)10-23(2)3)12-17-6-4-5-7-21-17/h4-9,16,18H,10-14H2,1-3H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyAWSATDWGCMCJJP-SJLPKXTDSA-N
MW356.47 g/mol
LogP0.76
Rot. Bonds7

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 91923193) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide
PubChem CID91923193
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1CN(C)C
InChIInChI=1S/C19H28N6O/c1-15-20-8-9-25(15)14-19(26)22-18-13-24(11-16(18)10-23(2)3)12-17-6-4-5-7-21-17/h4-9,16,18H,10-14H2,1-3H3,(H,22,26)/t16-,18-/m1/s1
InChIKeyAWSATDWGCMCJJP-SJLPKXTDSA-N
XLogP0.76
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 91922950
(3aR,6aS)-N,N-dimethyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97376937
N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide
CID 171142033
1-[(3R,4S)-4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705370
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
2-(2-methylimidazol-1-yl)-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124958753
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-methoxypropanamide
CID 91922899
3-fluoro-N-[4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 171142607
[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 173262646
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
N-[4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-2-ethoxybenzamide
CID 171142016
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide (CID 91923193) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide is Cc1nccn1CC(=O)N[C@@H]1CN(Cc2ccccn2)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide?
The InChIKey is AWSATDWGCMCJJP-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15-20-8-9-25(15)14-19(26)22-18-13-24(11-16(18)10-23(2)3)12-17-6-4-5-7-21-17/h4-9,16,18H,10-14H2,1-3H3,(H,22,26)/t16-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 91923193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).