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

C19H20N4O4 — CID 55945606

IUPAC2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCCCOCCc1ccccc1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C19H20N4O4/c24-17(14-11-15-16(21-12-14)22-19(26)23-18(15)25)20-8-4-9-27-10-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,20,24)(H2,21,22,23,25,26)
InChIKeyDZILXUYIZNEKBO-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.99
Rot. Bonds8

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

2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 55945606) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID55945606
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCCCOCCc1ccccc1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C19H20N4O4/c24-17(14-11-15-16(21-12-14)22-19(26)23-18(15)25)20-8-4-9-27-10-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,20,24)(H2,21,22,23,25,26)
InChIKeyDZILXUYIZNEKBO-UHFFFAOYSA-N
XLogP0.99
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 119352749
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
N-[(3-acetamidophenyl)methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55838313
N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 119041239
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55852614
3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487
N-[3-(2-methoxyethoxy)propyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 55678363
6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 12028355
4-methylsulfinyl-N-[3-(2-phenylethoxy)propyl]benzamide
CID 86821054
2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119537449
2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119558800
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide (CID 55945606) is 2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is O=C(NCCCOCCc1ccccc1)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DZILXUYIZNEKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-17(14-11-15-16(21-12-14)22-19(26)23-18(15)25)20-8-4-9-27-10-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,20,24)(H2,21,22,23,25,26).
What are the key properties of 2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide?
2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[3-(2-phenylethoxy)propyl]-1H-pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 55945606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).