4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide

C20H18F3N5O2 — CID 45232499

IUPAC4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)13-6-7-16(24-10-13)27-8-3-4-14(12-27)26-18(29)15-11-25-17-5-1-2-9-28(17)19(15)30/h1-2,5-7,9-11,14H,3-4,8,12H2,(H,26,29)
InChIKeyDNVODYNTYZVGMM-UHFFFAOYSA-N
MW417.39 g/mol
LogP2.51
Rot. Bonds3

About 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 45232499) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID45232499
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1cnc2ccccn2c1=O
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)13-6-7-16(24-10-13)27-8-3-4-14(12-27)26-18(29)15-11-25-17-5-1-2-9-28(17)19(15)30/h1-2,5-7,9-11,14H,3-4,8,12H2,(H,26,29)
InChIKeyDNVODYNTYZVGMM-UHFFFAOYSA-N
XLogP2.51
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 45232499) is 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DNVODYNTYZVGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c21-20(22,23)13-6-7-16(24-10-13)27-8-3-4-14(12-27)26-18(29)15-11-25-17-5-1-2-9-28(17)19(15)30/h1-2,5-7,9-11,14H,3-4,8,12H2,(H,26,29).
What are the key properties of 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 45232499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).