N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H9F6N3O2 — CID 20878671

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H9F6N3O2/c18-16(19,20)9-5-10(17(21,22)23)7-11(6-9)25-14(27)12-8-24-13-3-1-2-4-26(13)15(12)28/h1-8H,(H,25,27)
InChIKeyPEMJIEGHWJNMFP-UHFFFAOYSA-N
MW401.27 g/mol
LogP3.98
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878671) has the molecular formula C17H9F6N3O2 and a molecular weight of 401.27 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878671
Molecular FormulaC17H9F6N3O2
Molecular Weight401.27 g/mol
Exact Mass401.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H9F6N3O2/c18-16(19,20)9-5-10(17(21,22)23)7-11(6-9)25-14(27)12-8-24-13-3-1-2-4-26(13)15(12)28/h1-8H,(H,25,27)
InChIKeyPEMJIEGHWJNMFP-UHFFFAOYSA-N
XLogP3.98
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878671) is N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PEMJIEGHWJNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N3O2/c18-16(19,20)9-5-10(17(21,22)23)7-11(6-9)25-14(27)12-8-24-13-3-1-2-4-26(13)15(12)28/h1-8H,(H,25,27).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 401.27 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).