N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C18H17ClN4O3 — CID 36709707

IUPACN-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)cnc21
InChIInChI=1S/C18H17ClN4O3/c1-3-7-23-15-12(17(25)22-18(23)26)8-11(9-20-15)16(24)21-14-6-4-5-13(19)10(14)2/h4-6,8-9H,3,7H2,1-2H3,(H,21,24)(H,22,25,26)
InChIKeyBLTOJDHAJIHOBM-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.71
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 36709707) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID36709707
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)cnc21
InChIInChI=1S/C18H17ClN4O3/c1-3-7-23-15-12(17(25)22-18(23)26)8-11(9-20-15)16(24)21-14-6-4-5-13(19)10(14)2/h4-6,8-9H,3,7H2,1-2H3,(H,21,24)(H,22,25,26)
InChIKeyBLTOJDHAJIHOBM-UHFFFAOYSA-N
XLogP2.71
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553052
2,4-dioxo-N-(2-piperidin-1-yl-3-pyridinyl)-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55980838
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55992153
N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553686
N-(2-methylbutan-2-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46554711
ethyl (E)-3-[4-[(2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]phenyl]prop-2-enoate
CID 46552567
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55537193
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 39984479
2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 51932414
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 47021191
N-isoquinolin-5-ylsulfonyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 56556935
(5-chloro-1-methylimidazol-2-yl)methyl 2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 87044438

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 36709707) is N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)cnc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BLTOJDHAJIHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-3-7-23-15-12(17(25)22-18(23)26)8-11(9-20-15)16(24)21-14-6-4-5-13(19)10(14)2/h4-6,8-9H,3,7H2,1-2H3,(H,21,24)(H,22,25,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 36709707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).