4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide

C23H34N4O3 — CID 16841154

IUPAC4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)CC1
InChIInChI=1S/C23H34N4O3/c1-6-7-8-15-9-11-16(12-10-15)21(28)25-19-17(14(2)3)13-24-20-18(19)22(29)27(5)23(30)26(20)4/h13-16H,6-12H2,1-5H3,(H,24,25,28)
InChIKeyGTIFXHYWCIWPLP-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.69
Rot. Bonds6

About 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide

4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide (PubChem CID 16841154) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide
PubChem CID16841154
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)CC1
InChIInChI=1S/C23H34N4O3/c1-6-7-8-15-9-11-16(12-10-15)21(28)25-19-17(14(2)3)13-24-20-18(19)22(29)27(5)23(30)26(20)4/h13-16H,6-12H2,1-5H3,(H,24,25,28)
InChIKeyGTIFXHYWCIWPLP-UHFFFAOYSA-N
XLogP3.69
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-bromo-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16841281
2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16841165
N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(4-ethoxyphenyl)acetamide
CID 16841246
N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 16841250
1-(4-chlorophenyl)-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide
CID 16841259
2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
CID 16840851
2-chloro-N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16841013
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2,2-dimethylpropanamide
CID 16840994
4-butyl-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide
CID 16933592
2-ethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840693
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
CID 3346804
N-(6-bromo-2-pyridinyl)-4-butylcyclohexane-1-carboxamide
CID 43520432

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide (CID 16841154) is 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2c(C(C)C)cnc3c2c(=O)n(C)c(=O)n3C)CC1.
What is the InChIKey of 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide?
The InChIKey is GTIFXHYWCIWPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-6-7-8-15-9-11-16(12-10-15)21(28)25-19-17(14(2)3)13-24-20-18(19)22(29)27(5)23(30)26(20)4/h13-16H,6-12H2,1-5H3,(H,24,25,28).
What are the key properties of 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide?
4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 16841154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).