N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide

C15H15ClF3N3O2 — CID 66825481

IUPACN-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1c(Cl)nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C15H15ClF3N3O2/c1-14(2,3)7-9(23)20-10-11(16)21-12-8(15(17,18)19)5-4-6-22(12)13(10)24/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyOLUIBHPSIDZYJV-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.74
Rot. Bonds2

About N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide

N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide (PubChem CID 66825481) has the molecular formula C15H15ClF3N3O2 and a molecular weight of 361.75 g/mol. Its IUPAC name is N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide
PubChem CID66825481
Molecular FormulaC15H15ClF3N3O2
Molecular Weight361.75 g/mol
Exact Mass361.08
IUPAC NameN-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1c(Cl)nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C15H15ClF3N3O2/c1-14(2,3)7-9(23)20-10-11(16)21-12-8(15(17,18)19)5-4-6-22(12)13(10)24/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyOLUIBHPSIDZYJV-UHFFFAOYSA-N
XLogP3.74
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide (CID 66825481) is N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1c(Cl)nc2c(C(F)(F)F)cccn2c1=O.
What is the InChIKey of N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide?
The InChIKey is OLUIBHPSIDZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O2/c1-14(2,3)7-9(23)20-10-11(16)21-12-8(15(17,18)19)5-4-6-22(12)13(10)24/h4-6H,7H2,1-3H3,(H,20,23).
What are the key properties of N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide?
N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide has a molecular weight of 361.75 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-oxo-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 66825481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).