1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone

C25H30N6O2 — CID 167632094

IUPAC1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone
SMILESC[C@H](Cc1nncn1C)c1cccc(CC(=O)c2cc(C(=O)N3CC[C@@](C)(N)C3)ccn2)c1
InChIInChI=1S/C25H30N6O2/c1-17(11-23-29-28-16-30(23)3)19-6-4-5-18(12-19)13-22(32)21-14-20(7-9-27-21)24(33)31-10-8-25(2,26)15-31/h4-7,9,12,14,16-17H,8,10-11,13,15,26H2,1-3H3/t17-,25-/m1/s1
InChIKeyNYLLYFZEAZPCFV-CRICUBBOSA-N
MW446.56 g/mol
LogP2.55
Rot. Bonds7

About 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone

1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone (PubChem CID 167632094) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone
PubChem CID167632094
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone
SMILESC[C@H](Cc1nncn1C)c1cccc(CC(=O)c2cc(C(=O)N3CC[C@@](C)(N)C3)ccn2)c1
InChIInChI=1S/C25H30N6O2/c1-17(11-23-29-28-16-30(23)3)19-6-4-5-18(12-19)13-22(32)21-14-20(7-9-27-21)24(33)31-10-8-25(2,26)15-31/h4-7,9,12,14,16-17H,8,10-11,13,15,26H2,1-3H3/t17-,25-/m1/s1
InChIKeyNYLLYFZEAZPCFV-CRICUBBOSA-N
XLogP2.55
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone with MolForge

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Related Compounds

4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350370
4-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350563
(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 139360995
3-[(2S)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 139350886
4-methyl-3-[2-(3-nitrophenyl)propyl]-1,2,4-triazole
CID 139350400
3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide
CID 175234190
CID 166557762
CID 166557762
2-[3-[1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)ethanone
CID 167700047
2-[3-methyl-3-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055855
2-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-1-(5-oxa-2-azaspiro[3.4]octan-2-yl)ethanone
CID 167687073
1-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-2-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]ethanone
CID 167576617
4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one
CID 139350433

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone (CID 167632094) is 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone is C[C@H](Cc1nncn1C)c1cccc(CC(=O)c2cc(C(=O)N3CC[C@@](C)(N)C3)ccn2)c1.
What is the InChIKey of 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone?
The InChIKey is NYLLYFZEAZPCFV-CRICUBBOSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17(11-23-29-28-16-30(23)3)19-6-4-5-18(12-19)13-22(32)21-14-20(7-9-27-21)24(33)31-10-8-25(2,26)15-31/h4-7,9,12,14,16-17H,8,10-11,13,15,26H2,1-3H3/t17-,25-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone?
1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone has a molecular weight of 446.56 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-amino-3-methylpyrrolidine-1-carbonyl]-2-pyridinyl]-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]ethanone is sourced from PubChem (CID 167632094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).