7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C24H28N4O3 — CID 37191076

IUPAC7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)(C)c3ccccc3)cc(C3CC3)nc21
InChIInChI=1S/C24H28N4O3/c1-4-12-28-20-19(22(30)27-23(28)31)17(13-18(26-20)15-10-11-15)21(29)25-14-24(2,3)16-8-6-5-7-9-16/h5-9,13,15H,4,10-12,14H2,1-3H3,(H,25,29)(H,27,30,31)
InChIKeyBDFADZXJHPVOND-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.08
Rot. Bonds7

About 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 37191076) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID37191076
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)(C)c3ccccc3)cc(C3CC3)nc21
InChIInChI=1S/C24H28N4O3/c1-4-12-28-20-19(22(30)27-23(28)31)17(13-18(26-20)15-10-11-15)21(29)25-14-24(2,3)16-8-6-5-7-9-16/h5-9,13,15H,4,10-12,14H2,1-3H3,(H,25,29)(H,27,30,31)
InChIKeyBDFADZXJHPVOND-UHFFFAOYSA-N
XLogP3.08
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 37191076) is 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCC(C)(C)c3ccccc3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BDFADZXJHPVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-12-28-20-19(22(30)27-23(28)31)17(13-18(26-20)15-10-11-15)21(29)25-14-24(2,3)16-8-6-5-7-9-16/h5-9,13,15H,4,10-12,14H2,1-3H3,(H,25,29)(H,27,30,31).
What are the key properties of 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-(2-methyl-2-phenylpropyl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 37191076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).