6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C19H18ClN5O2 — CID 167882234

IUPAC6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2cccc(Cl)c2)[nH]c1=O)N1CCC(Cn2ccnn2)C1
InChIInChI=1S/C19H18ClN5O2/c20-15-3-1-2-14(10-15)17-5-4-16(18(26)22-17)19(27)24-8-6-13(11-24)12-25-9-7-21-23-25/h1-5,7,9-10,13H,6,8,11-12H2,(H,22,26)
InChIKeyWHFKMOWSRRODFQ-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.45
Rot. Bonds4

About 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 167882234) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID167882234
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2cccc(Cl)c2)[nH]c1=O)N1CCC(Cn2ccnn2)C1
InChIInChI=1S/C19H18ClN5O2/c20-15-3-1-2-14(10-15)17-5-4-16(18(26)22-17)19(27)24-8-6-13(11-24)12-25-9-7-21-23-25/h1-5,7,9-10,13H,6,8,11-12H2,(H,22,26)
InChIKeyWHFKMOWSRRODFQ-UHFFFAOYSA-N
XLogP2.45
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 167962226
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride
CID 119637585
7-[6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonyl]-3,7-diazatricyclo[3.3.3.01,5]undecane-2,4-dione
CID 166331077
6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 166272958
3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55842753
N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55842424
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]-[3-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 166244792
3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 118771981
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 119410087
3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 75404213
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119595143

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 167882234) is 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(-c2cccc(Cl)c2)[nH]c1=O)N1CCC(Cn2ccnn2)C1.
What is the InChIKey of 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WHFKMOWSRRODFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-15-3-1-2-14(10-15)17-5-4-16(18(26)22-17)19(27)24-8-6-13(11-24)12-25-9-7-21-23-25/h1-5,7,9-10,13H,6,8,11-12H2,(H,22,26).
What are the key properties of 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 383.84 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 167882234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).