(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one

C19H19N5O — CID 124754080

IUPAC(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
SMILESCc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)cnc1-n1cnnc1
InChIInChI=1S/C19H19N5O/c1-14-7-15(10-20-19(14)23-12-21-22-13-23)8-16-9-18(25)24(11-16)17-5-3-2-4-6-17/h2-7,10,12-13,16H,8-9,11H2,1H3/t16-/m0/s1
InChIKeyNGGSOICNZNANEY-INIZCTEOSA-N
MW333.40 g/mol
LogP2.57
Rot. Bonds4

About (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one

(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 124754080) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
PubChem CID124754080
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
SMILESCc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)cnc1-n1cnnc1
InChIInChI=1S/C19H19N5O/c1-14-7-15(10-20-19(14)23-12-21-22-13-23)8-16-9-18(25)24(11-16)17-5-3-2-4-6-17/h2-7,10,12-13,16H,8-9,11H2,1H3/t16-/m0/s1
InChIKeyNGGSOICNZNANEY-INIZCTEOSA-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 (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one with MolForge

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Related Compounds

4-[[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 91836308
4-[(5-methoxy-3-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 91772946
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91759927
4-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]methyl]-1-phenylpyrrolidin-2-one
CID 91840000
(4R)-4-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-1-phenylpyrrolidin-2-one
CID 124728087
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168504473
1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662656
4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91775988

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one (CID 124754080) is (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one is Cc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)cnc1-n1cnnc1.
What is the InChIKey of (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is NGGSOICNZNANEY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-7-15(10-20-19(14)23-12-21-22-13-23)8-16-9-18(25)24(11-16)17-5-3-2-4-6-17/h2-7,10,12-13,16H,8-9,11H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one?
(4S)-4-[[5-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 (4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 124754080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).