N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide

C18H18N6O5S — CID 26844659

IUPACN-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CSc2nnnn2C)cc1=O
InChIInChI=1S/C18H18N6O5S/c1-23-18(20-21-22-23)30-9-12-6-13(25)16(27-2)7-24(12)8-17(26)19-11-3-4-14-15(5-11)29-10-28-14/h3-7H,8-10H2,1-2H3,(H,19,26)
InChIKeyYUHMGCZFWHKVFQ-UHFFFAOYSA-N
MW430.45 g/mol
LogP1.04
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 26844659) has the molecular formula C18H18N6O5S and a molecular weight of 430.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID26844659
Molecular FormulaC18H18N6O5S
Molecular Weight430.45 g/mol
Exact Mass430.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CSc2nnnn2C)cc1=O
InChIInChI=1S/C18H18N6O5S/c1-23-18(20-21-22-23)30-9-12-6-13(25)16(27-2)7-24(12)8-17(26)19-11-3-4-14-15(5-11)29-10-28-14/h3-7H,8-10H2,1-2H3,(H,19,26)
InChIKeyYUHMGCZFWHKVFQ-UHFFFAOYSA-N
XLogP1.04
TPSA122.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844664
N-(1,3-benzodioxol-5-yl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587739
N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 27544042
2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18587644
N-(1,3-benzodioxol-5-yl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1175644
N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]acetamide
CID 18566990
N-(1,3-benzodioxol-5-yl)-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46403936
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4544058
N-(4-ethylphenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844681
N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 9204376
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1081020
2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 22585214

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (CID 26844659) is N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CSc2nnnn2C)cc1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is YUHMGCZFWHKVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O5S/c1-23-18(20-21-22-23)30-9-12-6-13(25)16(27-2)7-24(12)8-17(26)19-11-3-4-14-15(5-11)29-10-28-14/h3-7H,8-10H2,1-2H3,(H,19,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 430.45 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 26844659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).