N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C12H17N3O3S — CID 36710961

IUPACN-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCCCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C12H17N3O3S/c1-2-3-6-13-12(16)10-4-5-11-14-19(17,18)8-7-15(11)9-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,16)
InChIKeyQWRCUXWAVIMOEM-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.40
Rot. Bonds4

About N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 36710961) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID36710961
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCCCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C12H17N3O3S/c1-2-3-6-13-12(16)10-4-5-11-14-19(17,18)8-7-15(11)9-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,16)
InChIKeyQWRCUXWAVIMOEM-UHFFFAOYSA-N
XLogP0.40
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
CID 119171461
N-(2-amino-2-methylpropyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119630347
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30755038
2,2-dioxo-N-(2-pyrrolidin-3-ylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119537819
2,2-dioxo-N-(thiophen-2-ylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 32983128
N-[1-(4-methylphenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 55371111
N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 43027925
N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 47091580
2,2-dioxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46674635
2,2-dioxo-N-piperidin-3-yl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide;hydrochloride
CID 119428877
N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 51949947
prop-2-enyl 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 47110644

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 36710961) is N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CCCCNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is QWRCUXWAVIMOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-3-6-13-12(16)10-4-5-11-14-19(17,18)8-7-15(11)9-10/h4-5,9H,2-3,6-8H2,1H3,(H,13,16).
What are the key properties of N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 36710961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).