N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C19H20N4O4 — CID 24632369

IUPACN,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1
InChIInChI=1S/C19H20N4O4/c1-12-4-6-14(7-5-12)27-9-8-22(2)18(25)13-10-15-16(20-11-13)23(3)19(26)21-17(15)24/h4-7,10-11H,8-9H2,1-3H3,(H,21,24,26)
InChIKeyKNHPAGOPIFHKPQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.08
Rot. Bonds5

About N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24632369) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24632369
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1
InChIInChI=1S/C19H20N4O4/c1-12-4-6-14(7-5-12)27-9-8-22(2)18(25)13-10-15-16(20-11-13)23(3)19(26)21-17(15)24/h4-7,10-11H,8-9H2,1-3H3,(H,21,24,26)
InChIKeyKNHPAGOPIFHKPQ-UHFFFAOYSA-N
XLogP1.08
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 24632369) is N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(OCCN(C)C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1.
What is the InChIKey of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KNHPAGOPIFHKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12-4-6-14(7-5-12)27-9-8-22(2)18(25)13-10-15-16(20-11-13)23(3)19(26)21-17(15)24/h4-7,10-11H,8-9H2,1-3H3,(H,21,24,26).
What are the key properties of N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24632369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).