2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C18H21F3N4O3 — CID 51932414

IUPAC2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cnc21
InChIInChI=1S/C18H21F3N4O3/c1-2-7-25-14-11(16(27)24-17(25)28)8-10(9-22-14)15(26)23-13-6-4-3-5-12(13)18(19,20)21/h8-9,12-13H,2-7H2,1H3,(H,23,26)(H,24,27,28)/t12-,13-/m1/s1
InChIKeyMJMCPSUQLHBJKH-CHWSQXEVSA-N
MW398.39 g/mol
LogP2.35
Rot. Bonds4

About 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide

2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 51932414) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID51932414
Molecular FormulaC18H21F3N4O3
Molecular Weight398.39 g/mol
Exact Mass398.16
IUPAC Name2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cnc21
InChIInChI=1S/C18H21F3N4O3/c1-2-7-25-14-11(16(27)24-17(25)28)8-10(9-22-14)15(26)23-13-6-4-3-5-12(13)18(19,20)21/h8-9,12-13H,2-7H2,1H3,(H,23,26)(H,24,27,28)/t12-,13-/m1/s1
InChIKeyMJMCPSUQLHBJKH-CHWSQXEVSA-N
XLogP2.35
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 51932414) is 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cnc21.
What is the InChIKey of 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MJMCPSUQLHBJKH-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H21F3N4O3/c1-2-7-25-14-11(16(27)24-17(25)28)8-10(9-22-14)15(26)23-13-6-4-3-5-12(13)18(19,20)21/h8-9,12-13H,2-7H2,1H3,(H,23,26)(H,24,27,28)/t12-,13-/m1/s1.
What are the key properties of 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-propyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 51932414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).