N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C22H23ClN4O4 — CID 78887243

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cc(Cl)ccc3OC)cc(C3CC3)nc21
InChIInChI=1S/C22H23ClN4O4/c1-3-8-27-19-18(21(29)26-22(27)30)15(10-16(25-19)12-4-5-12)20(28)24-11-13-9-14(23)6-7-17(13)31-2/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,24,28)(H,26,29,30)
InChIKeyHTOBLYKFLSGOCW-UHFFFAOYSA-N
MW442.90 g/mol
LogP2.96
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 78887243) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID78887243
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cc(Cl)ccc3OC)cc(C3CC3)nc21
InChIInChI=1S/C22H23ClN4O4/c1-3-8-27-19-18(21(29)26-22(27)30)15(10-16(25-19)12-4-5-12)20(28)24-11-13-9-14(23)6-7-17(13)31-2/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,24,28)(H,26,29,30)
InChIKeyHTOBLYKFLSGOCW-UHFFFAOYSA-N
XLogP2.96
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

7-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37037491
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119629261
N-(2-amino-2-methylpropyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119629260
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37191076
7-cyclopropyl-2,4-dioxo-1-propyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55725891
7-cyclopropyl-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55595228
N-(2-aminophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119422524
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
7-cyclopropyl-1-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39697732
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
N-(1-amino-2-methylpropan-2-yl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;hydrochloride
CID 119524035
7-cyclopropyl-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 86937513

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 78887243) is N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCc3cc(Cl)ccc3OC)cc(C3CC3)nc21.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is HTOBLYKFLSGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-3-8-27-19-18(21(29)26-22(27)30)15(10-16(25-19)12-4-5-12)20(28)24-11-13-9-14(23)6-7-17(13)31-2/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,24,28)(H,26,29,30).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 78887243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).