6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine

C36H37F3N6O4 — CID 162200597

IUPAC6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1ccc(C(=O)Nc2ccc([C@@H]3O[C@H]4CN[C@@H]3C4)cc2)cn1.FC(F)(F)c1ccc(Nc2ccc([C@@H]3O[C@H]4CN[C@@H]3C4)cc2)nc1
InChIInChI=1S/C19H21N3O3.C17H16F3N3O/c1-2-24-17-8-5-13(10-21-17)19(23)22-14-6-3-12(4-7-14)18-16-9-15(25-18)11-20-16;18-17(19,20)11-3-6-15(22-8-11)23-12-4-1-10(2-5-12)16-14-7-13(24-16)9-21-14/h3-8,10,15-16,18,20H,2,9,11H2,1H3,(H,22,23);1-6,8,13-14,16,21H,7,9H2,(H,22,23)/t15-,16-,18+;13-,14-,16+/m11/s1
InChIKeyZRNJZXKAUSPOPM-RSKJKSNESA-N
MW674.72 g/mol
LogP6.18
Rot. Bonds8

About 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine

6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 162200597) has the molecular formula C36H37F3N6O4 and a molecular weight of 674.72 g/mol. Its IUPAC name is 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID162200597
Molecular FormulaC36H37F3N6O4
Molecular Weight674.72 g/mol
Exact Mass674.28
IUPAC Name6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCOc1ccc(C(=O)Nc2ccc([C@@H]3O[C@H]4CN[C@@H]3C4)cc2)cn1.FC(F)(F)c1ccc(Nc2ccc([C@@H]3O[C@H]4CN[C@@H]3C4)cc2)nc1
InChIInChI=1S/C19H21N3O3.C17H16F3N3O/c1-2-24-17-8-5-13(10-21-17)19(23)22-14-6-3-12(4-7-14)18-16-9-15(25-18)11-20-16;18-17(19,20)11-3-6-15(22-8-11)23-12-4-1-10(2-5-12)16-14-7-13(24-16)9-21-14/h3-8,10,15-16,18,20H,2,9,11H2,1H3,(H,22,23);1-6,8,13-14,16,21H,7,9H2,(H,22,23)/t15-,16-,18+;13-,14-,16+/m11/s1
InChIKeyZRNJZXKAUSPOPM-RSKJKSNESA-N
XLogP6.18
TPSA118.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.72
LogP ≤ 56.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide
CID 145006148
2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide
CID 118700342
4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 118695720
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine
CID 145007787
2-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 158279010
N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-3-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine
CID 145007788
4-chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide;4-(cyclopropylmethoxy)-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 158610430
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
CID 122316061
6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185
N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 67239256

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine (CID 162200597) is 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine is CCOc1ccc(C(=O)Nc2ccc([C@@H]3O[C@H]4CN[C@@H]3C4)cc2)cn1.FC(F)(F)c1ccc(Nc2ccc([C@@H]3O[C@H]4CN[C@@H]3C4)cc2)nc1.
What is the InChIKey of 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZRNJZXKAUSPOPM-RSKJKSNESA-N. The full InChI is InChI=1S/C19H21N3O3.C17H16F3N3O/c1-2-24-17-8-5-13(10-21-17)19(23)22-14-6-3-12(4-7-14)18-16-9-15(25-18)11-20-16;18-17(19,20)11-3-6-15(22-8-11)23-12-4-1-10(2-5-12)16-14-7-13(24-16)9-21-14/h3-8,10,15-16,18,20H,2,9,11H2,1H3,(H,22,23);1-6,8,13-14,16,21H,7,9H2,(H,22,23)/t15-,16-,18+;13-,14-,16+/m11/s1.
What are the key properties of 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine?
6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 674.72 g/mol, XLogP of 6.18, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 162200597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).