2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide

C11H14N6O2S — CID 77098009

IUPAC2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCSc2nnnn2C)cc(=O)[nH]1
InChIInChI=1S/C11H14N6O2S/c1-7-5-8(6-9(18)13-7)10(19)12-3-4-20-11-14-15-16-17(11)2/h5-6H,3-4H2,1-2H3,(H,12,19)(H,13,18)
InChIKeyHDLKEVFFOOIMCH-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.27
Rot. Bonds5

About 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide

2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 77098009) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID77098009
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCSc2nnnn2C)cc(=O)[nH]1
InChIInChI=1S/C11H14N6O2S/c1-7-5-8(6-9(18)13-7)10(19)12-3-4-20-11-14-15-16-17(11)2/h5-6H,3-4H2,1-2H3,(H,12,19)(H,13,18)
InChIKeyHDLKEVFFOOIMCH-UHFFFAOYSA-N
XLogP-0.27
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70752444
(4S)-6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95212969
6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56709508
N'-(2,4-dimethylphenyl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propanediamide
CID 50972244
5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide
CID 70778357
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
CID 91835256
1-(2-methyl-1,3-benzothiazol-5-yl)-3-[2-(1-methyltetrazol-5-yl)sulfanylethyl]urea
CID 72899521
4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118771309
2-[(4-fluorophenyl)methyl-methylamino]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]acetamide
CID 91789990
(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 155496366
(2S)-2-(benzimidazol-1-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propanamide
CID 95127190
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 91771033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide (CID 77098009) is 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)NCCSc2nnnn2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is HDLKEVFFOOIMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-7-5-8(6-9(18)13-7)10(19)12-3-4-20-11-14-15-16-17(11)2/h5-6H,3-4H2,1-2H3,(H,12,19)(H,13,18).
What are the key properties of 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide?
2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 294.34 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 77098009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).