N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

C20H20N4O5 — CID 55830822

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)cc1OC1CCCC1
InChIInChI=1S/C20H20N4O5/c1-28-15-7-6-12(9-16(15)29-13-4-2-3-5-13)22-18(25)11-8-14-17(21-10-11)23-20(27)24-19(14)26/h6-10,13H,2-5H2,1H3,(H,22,25)(H2,21,23,24,26,27)
InChIKeyJIXYXVPIQVLKQY-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.19
Rot. Bonds5

About N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55830822) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55830822
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)cc1OC1CCCC1
InChIInChI=1S/C20H20N4O5/c1-28-15-7-6-12(9-16(15)29-13-4-2-3-5-13)22-18(25)11-8-14-17(21-10-11)23-20(27)24-19(14)26/h6-10,13H,2-5H2,1H3,(H,22,25)(H2,21,23,24,26,27)
InChIKeyJIXYXVPIQVLKQY-UHFFFAOYSA-N
XLogP2.19
TPSA126.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55584033
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 31873271
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(propylsulfonylamino)benzamide
CID 31873206
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
N-(5-acetamido-2-methoxyphenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37065151
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 55830822) is N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is COc1ccc(NC(=O)c2cnc3[nH]c(=O)[nH]c(=O)c3c2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JIXYXVPIQVLKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-28-15-7-6-12(9-16(15)29-13-4-2-3-5-13)22-18(25)11-8-14-17(21-10-11)23-20(27)24-19(14)26/h6-10,13H,2-5H2,1H3,(H,22,25)(H2,21,23,24,26,27).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55830822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).