6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine

C50H48F6N8O7 — CID 158509760

IUPAC6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
SMILESNC1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.O=C(NC1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21)c1cccc(N2CCOCC2)n1.O=C(O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C25H23F3N4O3.C15H13F3N2O.C10H12N2O3/c26-25(27,28)17-4-1-3-16(15-17)18-7-8-21-23(30-18)19(9-12-35-21)31-24(33)20-5-2-6-22(29-20)32-10-13-34-14-11-32;16-15(17,18)10-3-1-2-9(8-10)12-4-5-13-14(20-12)11(19)6-7-21-13;13-10(14)8-2-1-3-9(11-8)12-4-6-15-7-5-12/h1-8,15,19H,9-14H2,(H,31,33);1-5,8,11H,6-7,19H2;1-3H,4-7H2,(H,13,14)
InChIKeyHKXHFHIJKPJXAK-UHFFFAOYSA-N
MW986.97 g/mol
LogP8.42
Rot. Bonds7

About 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine

6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine (PubChem CID 158509760) has the molecular formula C50H48F6N8O7 and a molecular weight of 986.97 g/mol. Its IUPAC name is 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
PubChem CID158509760
Molecular FormulaC50H48F6N8O7
Molecular Weight986.97 g/mol
Exact Mass986.36
IUPAC Name6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine
SMILESNC1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.O=C(NC1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21)c1cccc(N2CCOCC2)n1.O=C(O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C25H23F3N4O3.C15H13F3N2O.C10H12N2O3/c26-25(27,28)17-4-1-3-16(15-17)18-7-8-21-23(30-18)19(9-12-35-21)31-24(33)20-5-2-6-22(29-20)32-10-13-34-14-11-32;16-15(17,18)10-3-1-2-9(8-10)12-4-5-13-14(20-12)11(19)6-7-21-13;13-10(14)8-2-1-3-9(11-8)12-4-6-15-7-5-12/h1-8,15,19H,9-14H2,(H,31,33);1-5,8,11H,6-7,19H2;1-3H,4-7H2,(H,13,14)
InChIKeyHKXHFHIJKPJXAK-UHFFFAOYSA-N
XLogP8.42
TPSA187.38 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.97
LogP ≤ 58.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine?
The IUPAC name of 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine (CID 158509760) is 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine.
What is the SMILES notation for 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine?
The canonical SMILES for 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine is NC1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.O=C(NC1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21)c1cccc(N2CCOCC2)n1.O=C(O)c1cccc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine?
The InChIKey is HKXHFHIJKPJXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3.C15H13F3N2O.C10H12N2O3/c26-25(27,28)17-4-1-3-16(15-17)18-7-8-21-23(30-18)19(9-12-35-21)31-24(33)20-5-2-6-22(29-20)32-10-13-34-14-11-32;16-15(17,18)10-3-1-2-9(8-10)12-4-5-13-14(20-12)11(19)6-7-21-13;13-10(14)8-2-1-3-9(11-8)12-4-6-15-7-5-12/h1-8,15,19H,9-14H2,(H,31,33);1-5,8,11H,6-7,19H2;1-3H,4-7H2,(H,13,14).
What are the key properties of 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine?
6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine has a molecular weight of 986.97 g/mol, XLogP of 8.42, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyridine-2-carboxylic acid;6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide;6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine is sourced from PubChem (CID 158509760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).