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

C22H32N4O4 — CID 53027794

IUPACN-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)c2c(C(=O)NC3CCCCCC3)cc(=O)n(CCC)c2n(C)c1=O
InChIInChI=1S/C22H32N4O4/c1-4-12-25-17(27)14-16(19(28)23-15-10-8-6-7-9-11-15)18-20(25)24(3)22(30)26(13-5-2)21(18)29/h14-15H,4-13H2,1-3H3,(H,23,28)
InChIKeyFPDIVDBZRYHNTH-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.13
Rot. Bonds6

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

N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53027794) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID53027794
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC NameN-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)c2c(C(=O)NC3CCCCCC3)cc(=O)n(CCC)c2n(C)c1=O
InChIInChI=1S/C22H32N4O4/c1-4-12-25-17(27)14-16(19(28)23-15-10-8-6-7-9-11-15)18-20(25)24(3)22(30)26(13-5-2)21(18)29/h14-15H,4-13H2,1-3H3,(H,23,28)
InChIKeyFPDIVDBZRYHNTH-UHFFFAOYSA-N
XLogP2.13
TPSA95.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 53027794) is N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)c2c(C(=O)NC3CCCCCC3)cc(=O)n(CCC)c2n(C)c1=O.
What is the InChIKey of N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FPDIVDBZRYHNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-4-12-25-17(27)14-16(19(28)23-15-10-8-6-7-9-11-15)18-20(25)24(3)22(30)26(13-5-2)21(18)29/h14-15H,4-13H2,1-3H3,(H,23,28).
What are the key properties of N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53027794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).