7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide

C24H27N5O4 — CID 55887282

IUPAC7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)cc(C3CC3)nc21
InChIInChI=1S/C24H27N5O4/c1-4-11-29-20-19(23(32)28-24(29)33)17(12-18(27-20)14-5-6-14)22(31)26-16-9-7-15(8-10-16)21(30)25-13(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H,25,30)(H,26,31)(H,28,32,33)
InChIKeyJJMBZGAACMJNOC-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.76
Rot. Bonds7

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

7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55887282) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55887282
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)cc(C3CC3)nc21
InChIInChI=1S/C24H27N5O4/c1-4-11-29-20-19(23(32)28-24(29)33)17(12-18(27-20)14-5-6-14)22(31)26-16-9-7-15(8-10-16)21(30)25-13(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H,25,30)(H,26,31)(H,28,32,33)
InChIKeyJJMBZGAACMJNOC-UHFFFAOYSA-N
XLogP2.76
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55887282) is 7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)cc(C3CC3)nc21.
What is the InChIKey of 7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JJMBZGAACMJNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-4-11-29-20-19(23(32)28-24(29)33)17(12-18(27-20)14-5-6-14)22(31)26-16-9-7-15(8-10-16)21(30)25-13(2)3/h7-10,12-14H,4-6,11H2,1-3H3,(H,25,30)(H,26,31)(H,28,32,33).
What are the key properties of 7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55887282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).