4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide

C18H24F3N3O2 — CID 66825507

IUPAC4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1c(C2CC2)nc2n(c1=O)CCCC2C(F)(F)F
InChIInChI=1S/C18H24F3N3O2/c1-23(2)14(25)7-3-5-12-15(11-8-9-11)22-16-13(18(19,20)21)6-4-10-24(16)17(12)26/h11,13H,3-10H2,1-2H3
InChIKeyKGMHAQFEUQDTPD-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.97
Rot. Bonds5

About 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide

4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide (PubChem CID 66825507) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide
PubChem CID66825507
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCc1c(C2CC2)nc2n(c1=O)CCCC2C(F)(F)F
InChIInChI=1S/C18H24F3N3O2/c1-23(2)14(25)7-3-5-12-15(11-8-9-11)22-16-13(18(19,20)21)6-4-10-24(16)17(12)26/h11,13H,3-10H2,1-2H3
InChIKeyKGMHAQFEUQDTPD-UHFFFAOYSA-N
XLogP2.97
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide (CID 66825507) is 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCc1c(C2CC2)nc2n(c1=O)CCCC2C(F)(F)F.
What is the InChIKey of 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide?
The InChIKey is KGMHAQFEUQDTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-23(2)14(25)7-3-5-12-15(11-8-9-11)22-16-13(18(19,20)21)6-4-10-24(16)17(12)26/h11,13H,3-10H2,1-2H3.
What are the key properties of 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide?
4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide has a molecular weight of 371.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-4-oxo-9-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 66825507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).