N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

C19H15N5O3S — CID 75479339

IUPACN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cnc4[nH]c(=O)[nH]c(=O)c4c3)sc2C)cc1
InChIInChI=1S/C19H15N5O3S/c1-9-3-5-11(6-4-9)14-10(2)28-19(21-14)24-16(25)12-7-13-15(20-8-12)22-18(27)23-17(13)26/h3-8H,1-2H3,(H,21,24,25)(H2,20,22,23,26,27)
InChIKeyNQMOUFOUUMUCFG-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.60
Rot. Bonds3

About N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 75479339) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID75479339
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cnc4[nH]c(=O)[nH]c(=O)c4c3)sc2C)cc1
InChIInChI=1S/C19H15N5O3S/c1-9-3-5-11(6-4-9)14-10(2)28-19(21-14)24-16(25)12-7-13-15(20-8-12)22-18(27)23-17(13)26/h3-8H,1-2H3,(H,21,24,25)(H2,20,22,23,26,27)
InChIKeyNQMOUFOUUMUCFG-UHFFFAOYSA-N
XLogP2.60
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55537193
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
2,4-dioxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55822112
5-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 39323871
3-(cyanomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 78884527
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
2,4-dioxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 48500610
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-triethoxybenzamide
CID 19211561
4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 843290

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 75479339) is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(-c2nc(NC(=O)c3cnc4[nH]c(=O)[nH]c(=O)c4c3)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NQMOUFOUUMUCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-9-3-5-11(6-4-9)14-10(2)28-19(21-14)24-16(25)12-7-13-15(20-8-12)22-18(27)23-17(13)26/h3-8H,1-2H3,(H,21,24,25)(H2,20,22,23,26,27).
What are the key properties of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 75479339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).