3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide

C18H23F3N4O2 — CID 56944316

IUPAC3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide
SMILESCC(C)Nc1nc2c(C(F)(F)F)cccn2c(=O)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H23F3N4O2/c1-10(2)22-14-13(23-12(26)9-17(3,4)5)16(27)25-8-6-7-11(15(25)24-14)18(19,20)21/h6-8,10,22H,9H2,1-5H3,(H,23,26)
InChIKeyOFKJAKUVNJWCIK-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.91
Rot. Bonds4

About 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide

3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide (PubChem CID 56944316) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide
PubChem CID56944316
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC Name3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide
SMILESCC(C)Nc1nc2c(C(F)(F)F)cccn2c(=O)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H23F3N4O2/c1-10(2)22-14-13(23-12(26)9-17(3,4)5)16(27)25-8-6-7-11(15(25)24-14)18(19,20)21/h6-8,10,22H,9H2,1-5H3,(H,23,26)
InChIKeyOFKJAKUVNJWCIK-UHFFFAOYSA-N
XLogP3.91
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide (CID 56944316) is 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide is CC(C)Nc1nc2c(C(F)(F)F)cccn2c(=O)c1NC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide?
The InChIKey is OFKJAKUVNJWCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-10(2)22-14-13(23-12(26)9-17(3,4)5)16(27)25-8-6-7-11(15(25)24-14)18(19,20)21/h6-8,10,22H,9H2,1-5H3,(H,23,26).
What are the key properties of 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide?
3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide has a molecular weight of 384.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-oxo-2-(propan-2-ylamino)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide is sourced from PubChem (CID 56944316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).