N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide

C18H24N4O4 — CID 53027835

IUPACN-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCn1c(=O)c2c(C(=O)NC3CCCCCC3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C18H24N4O4/c1-20-13(23)10-12(15(24)19-11-8-6-4-5-7-9-11)14-16(20)21(2)18(26)22(3)17(14)25/h10-11H,4-9H2,1-3H3,(H,19,24)
InChIKeyGJAKCKTWIGJQEY-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.39
Rot. Bonds2

About N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide

N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53027835) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53027835
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCn1c(=O)c2c(C(=O)NC3CCCCCC3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C18H24N4O4/c1-20-13(23)10-12(15(24)19-11-8-6-4-5-7-9-11)14-16(20)21(2)18(26)22(3)17(14)25/h10-11H,4-9H2,1-3H3,(H,19,24)
InChIKeyGJAKCKTWIGJQEY-UHFFFAOYSA-N
XLogP0.39
TPSA95.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 53027835) is N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide is Cn1c(=O)c2c(C(=O)NC3CCCCCC3)cc(=O)n(C)c2n(C)c1=O.
What is the InChIKey of N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is GJAKCKTWIGJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-20-13(23)10-12(15(24)19-11-8-6-4-5-7-9-11)14-16(20)21(2)18(26)22(3)17(14)25/h10-11H,4-9H2,1-3H3,(H,19,24).
What are the key properties of N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53027835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).