N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C24H22F3N5O2 — CID 53233229

IUPACN-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccnc(N2CCCC2)c1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H22F3N5O2/c25-24(26,27)17-5-3-4-16(14-17)19-6-7-20-22(30-19)32(12-13-34-20)23(33)29-18-8-9-28-21(15-18)31-10-1-2-11-31/h3-9,14-15H,1-2,10-13H2,(H,28,29,33)
InChIKeyYBHLKJCHXQRYQY-UHFFFAOYSA-N
MW469.47 g/mol
LogP5.19
Rot. Bonds3

About N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 53233229) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID53233229
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC NameN-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESO=C(Nc1ccnc(N2CCCC2)c1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H22F3N5O2/c25-24(26,27)17-5-3-4-16(14-17)19-6-7-20-22(30-19)32(12-13-34-20)23(33)29-18-8-9-28-21(15-18)31-10-1-2-11-31/h3-9,14-15H,1-2,10-13H2,(H,28,29,33)
InChIKeyYBHLKJCHXQRYQY-UHFFFAOYSA-N
XLogP5.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 53233229) is N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is O=C(Nc1ccnc(N2CCCC2)c1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is YBHLKJCHXQRYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c25-24(26,27)17-5-3-4-16(14-17)19-6-7-20-22(30-19)32(12-13-34-20)23(33)29-18-8-9-28-21(15-18)31-10-1-2-11-31/h3-9,14-15H,1-2,10-13H2,(H,28,29,33).
What are the key properties of N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 469.47 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-4-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 53233229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).