N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide

C17H16N6O3 — CID 92613955

IUPACN-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3cccn4nnnc34)CC2=O)cc1
InChIInChI=1S/C17H16N6O3/c1-26-13-6-4-12(5-7-13)22-10-11(9-15(22)24)18-17(25)14-3-2-8-23-16(14)19-20-21-23/h2-8,11H,9-10H2,1H3,(H,18,25)/t11-/m0/s1
InChIKeyQNTKJYGNQOBYAB-NSHDSACASA-N
MW352.35 g/mol
LogP0.67
Rot. Bonds4

About N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide

N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 92613955) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide
PubChem CID92613955
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC NameN-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3cccn4nnnc34)CC2=O)cc1
InChIInChI=1S/C17H16N6O3/c1-26-13-6-4-12(5-7-13)22-10-11(9-15(22)24)18-17(25)14-3-2-8-23-16(14)19-20-21-23/h2-8,11H,9-10H2,1H3,(H,18,25)/t11-/m0/s1
InChIKeyQNTKJYGNQOBYAB-NSHDSACASA-N
XLogP0.67
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dimethoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548524
2,6-difluoro-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970989
5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 118770996
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methyl-3-nitrobenzamide
CID 7548609
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-nitrobenzamide
CID 7548187

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide (CID 92613955) is N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide is COc1ccc(N2C[C@@H](NC(=O)c3cccn4nnnc34)CC2=O)cc1.
What is the InChIKey of N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is QNTKJYGNQOBYAB-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N6O3/c1-26-13-6-4-12(5-7-13)22-10-11(9-15(22)24)18-17(25)14-3-2-8-23-16(14)19-20-21-23/h2-8,11H,9-10H2,1H3,(H,18,25)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide?
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]tetrazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 92613955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).