4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide

C15H19F4N3O2 — CID 99837002

IUPAC4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccnc(C(=O)NCC(F)(F)C(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C15H19F4N3O2/c1-9-6-22(7-10(2)24-9)11-3-4-20-12(5-11)13(23)21-8-15(18,19)14(16)17/h3-5,9-10,14H,6-8H2,1-2H3,(H,21,23)/t9-,10-/m0/s1
InChIKeyITFWMVJMBQYCKH-UWVGGRQHSA-N
MW349.33 g/mol
LogP2.33
Rot. Bonds5

About 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide (PubChem CID 99837002) has the molecular formula C15H19F4N3O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide
PubChem CID99837002
Molecular FormulaC15H19F4N3O2
Molecular Weight349.33 g/mol
Exact Mass349.14
IUPAC Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide
SMILESC[C@H]1CN(c2ccnc(C(=O)NCC(F)(F)C(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C15H19F4N3O2/c1-9-6-22(7-10(2)24-9)11-3-4-20-12(5-11)13(23)21-8-15(18,19)14(16)17/h3-5,9-10,14H,6-8H2,1-2H3,(H,21,23)/t9-,10-/m0/s1
InChIKeyITFWMVJMBQYCKH-UWVGGRQHSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 162682804
(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 155974206
N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide
CID 133379384
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 42940170
N-[1-(2,3-dihydro-1-benzofuran-7-ylmethyl)cyclopropyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide
CID 162682793
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine
CID 61257388
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055437
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide
CID 102683782
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
CID 62491625

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide (CID 99837002) is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide is C[C@H]1CN(c2ccnc(C(=O)NCC(F)(F)C(F)F)c2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide?
The InChIKey is ITFWMVJMBQYCKH-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H19F4N3O2/c1-9-6-22(7-10(2)24-9)11-3-4-20-12(5-11)13(23)21-8-15(18,19)14(16)17/h3-5,9-10,14H,6-8H2,1-2H3,(H,21,23)/t9-,10-/m0/s1.
What are the key properties of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide?
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide has a molecular weight of 349.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide is sourced from PubChem (CID 99837002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).