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

C22H21N5O4S — CID 55537193

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3nc(-c4ccc(OC)cc4)c(C)s3)cnc21
InChIInChI=1S/C22H21N5O4S/c1-4-9-27-18-16(20(29)26-22(27)30)10-14(11-23-18)19(28)25-21-24-17(12(2)32-21)13-5-7-15(31-3)8-6-13/h5-8,10-11H,4,9H2,1-3H3,(H,24,25,28)(H,26,29,30)
InChIKeyVYQVZJCMIPZERL-UHFFFAOYSA-N
MW451.51 g/mol
LogP3.19
Rot. Bonds6

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

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55537193) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55537193
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3nc(-c4ccc(OC)cc4)c(C)s3)cnc21
InChIInChI=1S/C22H21N5O4S/c1-4-9-27-18-16(20(29)26-22(27)30)10-14(11-23-18)19(28)25-21-24-17(12(2)32-21)13-5-7-15(31-3)8-6-13/h5-8,10-11H,4,9H2,1-3H3,(H,24,25,28)(H,26,29,30)
InChIKeyVYQVZJCMIPZERL-UHFFFAOYSA-N
XLogP3.19
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55992153
N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552519
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 75479339
N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 36709707
2,4-dioxo-1-propyl-N-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553706
ethyl (E)-3-[4-[(2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]phenyl]prop-2-enoate
CID 46552567
N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
CID 7916066
N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553052
3-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52659812
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 55537193) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3nc(-c4ccc(OC)cc4)c(C)s3)cnc21.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VYQVZJCMIPZERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c1-4-9-27-18-16(20(29)26-22(27)30)10-14(11-23-18)19(28)25-21-24-17(12(2)32-21)13-5-7-15(31-3)8-6-13/h5-8,10-11H,4,9H2,1-3H3,(H,24,25,28)(H,26,29,30).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55537193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).