N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H16N6O3S — CID 55457394

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H16N6O3S/c1-10-14(29-17(22-10)13-6-4-5-7-20-13)16(26)23-11-8-12-15(21-9-11)24(2)19(28)25(3)18(12)27/h4-9H,1-3H3,(H,23,26)
InChIKeyAHLPGCQDBRDGRJ-UHFFFAOYSA-N
MW408.44 g/mol
LogP1.71
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55457394) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55457394
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H16N6O3S/c1-10-14(29-17(22-10)13-6-4-5-7-20-13)16(26)23-11-8-12-15(21-9-11)24(2)19(28)25(3)18(12)27/h4-9H,1-3H3,(H,23,26)
InChIKeyAHLPGCQDBRDGRJ-UHFFFAOYSA-N
XLogP1.71
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 134009105
N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 30599206
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78890221
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 38808470
4-methyl-2-pyridin-2-yl-N-quinolin-5-yl-1,3-thiazole-5-carboxamide
CID 86907870
4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55879949
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-(3-acetamido-4-methoxyphenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 33308450

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 55457394) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is AHLPGCQDBRDGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S/c1-10-14(29-17(22-10)13-6-4-5-7-20-13)16(26)23-11-8-12-15(21-9-11)24(2)19(28)25(3)18(12)27/h4-9H,1-3H3,(H,23,26).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55457394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).