N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C15H20N6O2S — CID 136533757

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCCCCc1nnc(NC(=O)N2CCc3c(ncn(C)c3=O)C2)s1
InChIInChI=1S/C15H20N6O2S/c1-3-4-5-12-18-19-14(24-12)17-15(23)21-7-6-10-11(8-21)16-9-20(2)13(10)22/h9H,3-8H2,1-2H3,(H,17,19,23)
InChIKeyNWDZQZGCPYUHPK-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.56
Rot. Bonds4

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 136533757) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID136533757
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCCCCc1nnc(NC(=O)N2CCc3c(ncn(C)c3=O)C2)s1
InChIInChI=1S/C15H20N6O2S/c1-3-4-5-12-18-19-14(24-12)17-15(23)21-7-6-10-11(8-21)16-9-20(2)13(10)22/h9H,3-8H2,1-2H3,(H,17,19,23)
InChIKeyNWDZQZGCPYUHPK-UHFFFAOYSA-N
XLogP1.56
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 30881963
3-(hydroxymethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890794
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
3-methyl-7-(5-propan-2-ylthiophene-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999775
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280132
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129341830
7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999810
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide
CID 167854061

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 136533757) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is CCCCc1nnc(NC(=O)N2CCc3c(ncn(C)c3=O)C2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is NWDZQZGCPYUHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-3-4-5-12-18-19-14(24-12)17-15(23)21-7-6-10-11(8-21)16-9-20(2)13(10)22/h9H,3-8H2,1-2H3,(H,17,19,23).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 136533757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).