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

C19H18ClN5O4 — CID 46553052

IUPACN-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)cnc21
InChIInChI=1S/C19H18ClN5O4/c1-3-6-25-16-13(18(28)24-19(25)29)7-11(9-21-16)17(27)23-12-4-5-15(14(20)8-12)22-10(2)26/h4-5,7-9H,3,6H2,1-2H3,(H,22,26)(H,23,27)(H,24,28,29)
InChIKeyMWPUVMWWTMFYRB-UHFFFAOYSA-N
MW415.84 g/mol
LogP2.36
Rot. Bonds5

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

N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46553052) has the molecular formula C19H18ClN5O4 and a molecular weight of 415.84 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID46553052
Molecular FormulaC19H18ClN5O4
Molecular Weight415.84 g/mol
Exact Mass415.10
IUPAC NameN-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)cnc21
InChIInChI=1S/C19H18ClN5O4/c1-3-6-25-16-13(18(28)24-19(25)29)7-11(9-21-16)17(27)23-12-4-5-15(14(20)8-12)22-10(2)26/h4-5,7-9H,3,6H2,1-2H3,(H,22,26)(H,23,27)(H,24,28,29)
InChIKeyMWPUVMWWTMFYRB-UHFFFAOYSA-N
XLogP2.36
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.84
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 36709707
N-(4-bromo-3-methylphenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 36762244
2,4-dioxo-1-propyl-N-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553706
N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552519
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
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-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 39984479
N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55678363
2,4-dioxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55963391
N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553241

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 46553052) is N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)cnc21.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MWPUVMWWTMFYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4/c1-3-6-25-16-13(18(28)24-19(25)29)7-11(9-21-16)17(27)23-12-4-5-15(14(20)8-12)22-10(2)26/h4-5,7-9H,3,6H2,1-2H3,(H,22,26)(H,23,27)(H,24,28,29).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 415.84 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46553052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).