2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one

C20H24N4O3 — CID 70112013

IUPAC2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCn1c(=O)ccc2cnc(Nc3ccc(OC)c(OC)c3)nc21
InChIInChI=1S/C20H24N4O3/c1-4-5-6-11-24-18(25)10-7-14-13-21-20(23-19(14)24)22-15-8-9-16(26-2)17(12-15)27-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,22,23)
InChIKeyOIGAJEHFPRQXJD-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.74
Rot. Bonds8

About 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one

2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 70112013) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
PubChem CID70112013
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCn1c(=O)ccc2cnc(Nc3ccc(OC)c(OC)c3)nc21
InChIInChI=1S/C20H24N4O3/c1-4-5-6-11-24-18(25)10-7-14-13-21-20(23-19(14)24)22-15-8-9-16(26-2)17(12-15)27-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,22,23)
InChIKeyOIGAJEHFPRQXJD-UHFFFAOYSA-N
XLogP3.74
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
CID 70112446
2-(4-hydroxy-3,5-dimethylanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
CID 70113254
2-anilino-8-butylpyrido[2,3-d]pyrimidin-7-one
CID 5330228
8-butyl-2-[4-chloro-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10157613
2-(4-fluoro-3-methylanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
CID 10267671
2-(3-iodoanilino)-8-propylpyrido[2,3-d]pyrimidin-7-one
CID 10294727
8-ethyl-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330206
2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374812
8-[(3,5-dimethoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375244
8-ethyl-2-(4-pyrrol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330218
6-dodecoxy-1-dodecyl-1,8-naphthyridin-2-one
CID 140959640
benzene;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 159793843

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one (CID 70112013) is 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one is CCCCCn1c(=O)ccc2cnc(Nc3ccc(OC)c(OC)c3)nc21.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OIGAJEHFPRQXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-5-6-11-24-18(25)10-7-14-13-21-20(23-19(14)24)22-15-8-9-16(26-2)17(12-15)27-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one?
2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 368.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70112013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).