N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide

C13H14N6O3 — CID 166337265

IUPACN-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide
SMILESCN1C[C@@H](NC(=O)c2ccc(-n3nn[nH]c3=O)cc2)CC1=O
InChIInChI=1S/C13H14N6O3/c1-18-7-9(6-11(18)20)14-12(21)8-2-4-10(5-3-8)19-13(22)15-16-17-19/h2-5,9H,6-7H2,1H3,(H,14,21)(H,15,17,22)/t9-/m0/s1
InChIKeyATCYUWWPSICVQQ-VIFPVBQESA-N
MW302.29 g/mol
LogP-1.08
Rot. Bonds3

About N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide

N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide (PubChem CID 166337265) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide
PubChem CID166337265
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC NameN-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide
SMILESCN1C[C@@H](NC(=O)c2ccc(-n3nn[nH]c3=O)cc2)CC1=O
InChIInChI=1S/C13H14N6O3/c1-18-7-9(6-11(18)20)14-12(21)8-2-4-10(5-3-8)19-13(22)15-16-17-19/h2-5,9H,6-7H2,1H3,(H,14,21)(H,15,17,22)/t9-/m0/s1
InChIKeyATCYUWWPSICVQQ-VIFPVBQESA-N
XLogP-1.08
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
N-(1-methyl-5-oxopyrrolidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 110745997
methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate
CID 60616666
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
5-(furan-2-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95985082
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
N-(1-methyl-5-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 110474030
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide?
The IUPAC name of N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide (CID 166337265) is N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide.
What is the SMILES notation for N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide?
The canonical SMILES for N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide is CN1C[C@@H](NC(=O)c2ccc(-n3nn[nH]c3=O)cc2)CC1=O.
What is the InChIKey of N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide?
The InChIKey is ATCYUWWPSICVQQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N6O3/c1-18-7-9(6-11(18)20)14-12(21)8-2-4-10(5-3-8)19-13(22)15-16-17-19/h2-5,9H,6-7H2,1H3,(H,14,21)(H,15,17,22)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide?
N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide has a molecular weight of 302.29 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide is sourced from PubChem (CID 166337265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).