4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one

C19H19N5O — CID 91836308

IUPAC4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
SMILESCc1nc(-n2cnnc2)ccc1CC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H19N5O/c1-14-16(7-8-18(22-14)23-12-20-21-13-23)9-15-10-19(25)24(11-15)17-5-3-2-4-6-17/h2-8,12-13,15H,9-11H2,1H3
InChIKeyAYWKOYAEYDIWNI-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.57
Rot. Bonds4

About 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one

4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 91836308) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
PubChem CID91836308
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
SMILESCc1nc(-n2cnnc2)ccc1CC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H19N5O/c1-14-16(7-8-18(22-14)23-12-20-21-13-23)9-15-10-19(25)24(11-15)17-5-3-2-4-6-17/h2-8,12-13,15H,9-11H2,1H3
InChIKeyAYWKOYAEYDIWNI-UHFFFAOYSA-N
XLogP2.57
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 124754080
4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91759927
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
(4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one
CID 124728087
(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
CID 91840000
4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 91772946
(4S)-4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1-phenylpyrrolidin-2-one
CID 125165477
(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one
CID 124755909
1-(5-bromo-6-methyl-2-pyridinyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670538

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one (CID 91836308) is 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one is Cc1nc(-n2cnnc2)ccc1CC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is AYWKOYAEYDIWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-16(7-8-18(22-14)23-12-20-21-13-23)9-15-10-19(25)24(11-15)17-5-3-2-4-6-17/h2-8,12-13,15H,9-11H2,1H3.
What are the key properties of 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one?
4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 333.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 91836308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).