4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide

C20H22N4O4 — CID 134008963

IUPAC4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C20H22N4O4/c1-4-5-10-28-15-8-6-13(7-9-15)18(25)22-14-11-16-17(21-12-14)23(2)20(27)24(3)19(16)26/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,25)
InChIKeyHBTWXJPKMBXYMZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.06
Rot. Bonds6

About 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide

4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide (PubChem CID 134008963) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
PubChem CID134008963
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C20H22N4O4/c1-4-5-10-28-15-8-6-13(7-9-15)18(25)22-14-11-16-17(21-12-14)23(2)20(27)24(3)19(16)26/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,25)
InChIKeyHBTWXJPKMBXYMZ-UHFFFAOYSA-N
XLogP2.06
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.06
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

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 134009105
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517831
N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24673188
2-amino-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)pentanamide;dihydrochloride
CID 119837912
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
CID 54787952
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
CID 132971059
N-(4-ethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737849
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide
CID 134009089
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
N-[4-(dimethylamino)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78840610
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-fluorophenyl)propanamide
CID 55457312

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide (CID 134008963) is 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide is CCCCOc1ccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
The InChIKey is HBTWXJPKMBXYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-4-5-10-28-15-8-6-13(7-9-15)18(25)22-14-11-16-17(21-12-14)23(2)20(27)24(3)19(16)26/h6-9,11-12H,4-5,10H2,1-3H3,(H,22,25).
What are the key properties of 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 134008963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).