N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C19H17FN4O3 — CID 154800554

IUPACN-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CC(c4cccc(F)c4)C3)cnc21
InChIInChI=1S/C19H17FN4O3/c1-24-16-15(18(26)23-19(24)27)8-12(9-21-16)17(25)22-14-6-11(7-14)10-3-2-4-13(20)5-10/h2-5,8-9,11,14H,6-7H2,1H3,(H,22,25)(H,23,26,27)
InChIKeyDQSPTXVXABQEAH-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.44
Rot. Bonds3

About N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 154800554) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID154800554
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CC(c4cccc(F)c4)C3)cnc21
InChIInChI=1S/C19H17FN4O3/c1-24-16-15(18(26)23-19(24)27)8-12(9-21-16)17(25)22-14-6-11(7-14)10-3-2-4-13(20)5-10/h2-5,8-9,11,14H,6-7H2,1H3,(H,22,25)(H,23,26,27)
InChIKeyDQSPTXVXABQEAH-UHFFFAOYSA-N
XLogP1.44
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 154800554) is N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CC(c4cccc(F)c4)C3)cnc21.
What is the InChIKey of N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DQSPTXVXABQEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-24-16-15(18(26)23-19(24)27)8-12(9-21-16)17(25)22-14-6-11(7-14)10-3-2-4-13(20)5-10/h2-5,8-9,11,14H,6-7H2,1H3,(H,22,25)(H,23,26,27).
What are the key properties of N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)cyclobutyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 154800554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).