N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide

C19H26N4O3 — CID 118586341

IUPACN-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
SMILESCC(=O)Nc1cnc2[nH]c(=O)n(C3CCC(C(C)(C)C)CC3)c(=O)c2c1
InChIInChI=1S/C19H26N4O3/c1-11(24)21-13-9-15-16(20-10-13)22-18(26)23(17(15)25)14-7-5-12(6-8-14)19(2,3)4/h9-10,12,14H,5-8H2,1-4H3,(H,21,24)(H,20,22,26)
InChIKeyJDPJJVQYOLBSON-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.82
Rot. Bonds2

About N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide

N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide (PubChem CID 118586341) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
PubChem CID118586341
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
SMILESCC(=O)Nc1cnc2[nH]c(=O)n(C3CCC(C(C)(C)C)CC3)c(=O)c2c1
InChIInChI=1S/C19H26N4O3/c1-11(24)21-13-9-15-16(20-10-13)22-18(26)23(17(15)25)14-7-5-12(6-8-14)19(2,3)4/h9-10,12,14H,5-8H2,1-4H3,(H,21,24)(H,20,22,26)
InChIKeyJDPJJVQYOLBSON-UHFFFAOYSA-N
XLogP2.82
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide?
The IUPAC name of N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide (CID 118586341) is N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide is CC(=O)Nc1cnc2[nH]c(=O)n(C3CCC(C(C)(C)C)CC3)c(=O)c2c1.
What is the InChIKey of N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide?
The InChIKey is JDPJJVQYOLBSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-11(24)21-13-9-15-16(20-10-13)22-18(26)23(17(15)25)14-7-5-12(6-8-14)19(2,3)4/h9-10,12,14H,5-8H2,1-4H3,(H,21,24)(H,20,22,26).
What are the key properties of N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide?
N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylcyclohexyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 118586341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).