N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C18H24N4O3 — CID 51077156

IUPACN,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H24N4O3/c1-11-7-5-6-8-14(11)20(2)16(23)12-9-13-15(19-10-12)21(3)18(25)22(4)17(13)24/h9-11,14H,5-8H2,1-4H3
InChIKeyMCTXGMOYKDYSSS-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.28
Rot. Bonds2

About N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 51077156) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID51077156
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCC1CCCCC1N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H24N4O3/c1-11-7-5-6-8-14(11)20(2)16(23)12-9-13-15(19-10-12)21(3)18(25)22(4)17(13)24/h9-11,14H,5-8H2,1-4H3
InChIKeyMCTXGMOYKDYSSS-UHFFFAOYSA-N
XLogP1.28
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 51077156) is N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CC1CCCCC1N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MCTXGMOYKDYSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-7-5-6-8-14(11)20(2)16(23)12-9-13-15(19-10-12)21(3)18(25)22(4)17(13)24/h9-11,14H,5-8H2,1-4H3.
What are the key properties of N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-(2-methylcyclohexyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 51077156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).