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

C20H28N4O4 — CID 53027745

IUPACN-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)c2c(C(=O)NC3CCCCCC3)cc(=O)n(CC)c2n(C)c1=O
InChIInChI=1S/C20H28N4O4/c1-4-23-15(25)12-14(17(26)21-13-10-8-6-7-9-11-13)16-18(23)22(3)20(28)24(5-2)19(16)27/h12-13H,4-11H2,1-3H3,(H,21,26)
InChIKeyZVUXASGGMDDOKR-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.35
Rot. Bonds4

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

N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53027745) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53027745
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)c2c(C(=O)NC3CCCCCC3)cc(=O)n(CC)c2n(C)c1=O
InChIInChI=1S/C20H28N4O4/c1-4-23-15(25)12-14(17(26)21-13-10-8-6-7-9-11-13)16-18(23)22(3)20(28)24(5-2)19(16)27/h12-13H,4-11H2,1-3H3,(H,21,26)
InChIKeyZVUXASGGMDDOKR-UHFFFAOYSA-N
XLogP1.35
TPSA95.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 53027745) is N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)c2c(C(=O)NC3CCCCCC3)cc(=O)n(CC)c2n(C)c1=O.
What is the InChIKey of N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ZVUXASGGMDDOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-4-23-15(25)12-14(17(26)21-13-10-8-6-7-9-11-13)16-18(23)22(3)20(28)24(5-2)19(16)27/h12-13H,4-11H2,1-3H3,(H,21,26).
What are the key properties of N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53027745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).