5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C16H18N4O4S — CID 72887758

IUPAC5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)c1cc(=O)n(C)c(=O)n1C)C2
InChIInChI=1S/C16H18N4O4S/c1-17-14(22)12-6-9-8-20(5-4-11(9)25-12)15(23)10-7-13(21)19(3)16(24)18(10)2/h6-7H,4-5,8H2,1-3H3,(H,17,22)
InChIKeyYJGIFUFCQXIIHD-UHFFFAOYSA-N
MW362.41 g/mol
LogP-0.30
Rot. Bonds2

About 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 72887758) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID72887758
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)c1cc(=O)n(C)c(=O)n1C)C2
InChIInChI=1S/C16H18N4O4S/c1-17-14(22)12-6-9-8-20(5-4-11(9)25-12)15(23)10-7-13(21)19(3)16(24)18(10)2/h6-7H,4-5,8H2,1-3H3,(H,17,22)
InChIKeyYJGIFUFCQXIIHD-UHFFFAOYSA-N
XLogP-0.30
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97112365
5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97208038
5-(4-chlorobenzoyl)-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158992
5-propanoyl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158844
5-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 70757433
5-acetyl-N-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158808
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269
5-acetyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53158788
5-(4-methylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369272
N-methyl-5-[(2R)-2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 130194191
N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 145343301
ethane;N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 145343300

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 72887758) is 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(s1)CCN(C(=O)c1cc(=O)n(C)c(=O)n1C)C2.
What is the InChIKey of 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is YJGIFUFCQXIIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-17-14(22)12-6-9-8-20(5-4-11(9)25-12)15(23)10-7-13(21)19(3)16(24)18(10)2/h6-7H,4-5,8H2,1-3H3,(H,17,22).
What are the key properties of 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-2,6-dioxopyrimidine-4-carbonyl)-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 72887758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).