2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide

C17H25N7O — CID 97074795

IUPAC2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1nnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cccnc3)C2)n1C
InChIInChI=1S/C17H25N7O/c1-13-20-21-16(23(13)3)11-22(2)15-6-8-24(10-15)12-17(25)19-14-5-4-7-18-9-14/h4-5,7,9,15H,6,8,10-12H2,1-3H3,(H,19,25)/t15-/m1/s1
InChIKeyRLTILCGFZBNUFC-OAHLLOKOSA-N
MW343.44 g/mol
LogP0.66
Rot. Bonds6

About 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide

2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 97074795) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID97074795
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
SMILESCc1nnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cccnc3)C2)n1C
InChIInChI=1S/C17H25N7O/c1-13-20-21-16(23(13)3)11-22(2)15-6-8-24(10-15)12-17(25)19-14-5-4-7-18-9-14/h4-5,7,9,15H,6,8,10-12H2,1-3H3,(H,19,25)/t15-/m1/s1
InChIKeyRLTILCGFZBNUFC-OAHLLOKOSA-N
XLogP0.66
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide (CID 97074795) is 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide is Cc1nnc(CN(C)[C@@H]2CCN(CC(=O)Nc3cccnc3)C2)n1C.
What is the InChIKey of 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is RLTILCGFZBNUFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N7O/c1-13-20-21-16(23(13)3)11-22(2)15-6-8-24(10-15)12-17(25)19-14-5-4-7-18-9-14/h4-5,7,9,15H,6,8,10-12H2,1-3H3,(H,19,25)/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide?
2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 343.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 97074795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).