N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide

C20H23F3N4O3 — CID 164564292

IUPACN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
SMILESCNc1ncc(O[C@H]2CCOC2)cc1C(=O)N[C@H](C)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O3/c1-11(12-5-13(20(21,22)23)7-14(24)6-12)27-19(28)17-8-16(9-26-18(17)25-2)30-15-3-4-29-10-15/h5-9,11,15H,3-4,10,24H2,1-2H3,(H,25,26)(H,27,28)/t11-,15+/m1/s1
InChIKeyKALHULZNDBUURE-ABAIWWIYSA-N
MW424.42 g/mol
LogP3.38
Rot. Bonds6

About N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 164564292) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
PubChem CID164564292
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC NameN-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
SMILESCNc1ncc(O[C@H]2CCOC2)cc1C(=O)N[C@H](C)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O3/c1-11(12-5-13(20(21,22)23)7-14(24)6-12)27-19(28)17-8-16(9-26-18(17)25-2)30-15-3-4-29-10-15/h5-9,11,15H,3-4,10,24H2,1-2H3,(H,25,26)(H,27,28)/t11-,15+/m1/s1
InChIKeyKALHULZNDBUURE-ABAIWWIYSA-N
XLogP3.38
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-5-[(3S)-oxolan-3-yl]oxy-1H-indole-7-carboxamide
CID 162763389
4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methyl-6-[(3S)-oxolan-3-yl]oxyphthalazin-1-one
CID 164522674
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-7-methoxy-6-(oxolan-3-yloxy)quinazolin-4-amine
CID 175324522
8-methyl-3-[(3S)-oxolan-3-yl]oxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrido[2,3-d]pyridazin-5-amine
CID 168985309
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(oxolan-3-yloxy)-8,9-dihydrofuro[2,3-h]quinazolin-4-amine
CID 166889955
3-[(3S)-oxolan-3-yl]oxy-5-(5-propan-2-yl-1,3-thiazol-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 134327894
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-3-yloxy)benzamide
CID 58188210
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(oxan-4-yl)methanone
CID 155687297
2-(oxolan-3-yloxy)-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 167302803
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-1-[(1R,2R)-2-hydroxycyclohexyl]-6-oxopyridazine-3-carboxamide
CID 167473500
N-[(1R)-1-[4-[(4-fluorophenyl)-(1-methylpiperidin-4-ylidene)methyl]phenyl]ethyl]-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 177196387
N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 121397288

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide (CID 164564292) is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide is CNc1ncc(O[C@H]2CCOC2)cc1C(=O)N[C@H](C)c1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is KALHULZNDBUURE-ABAIWWIYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-11(12-5-13(20(21,22)23)7-14(24)6-12)27-19(28)17-8-16(9-26-18(17)25-2)30-15-3-4-29-10-15/h5-9,11,15H,3-4,10,24H2,1-2H3,(H,25,26)(H,27,28)/t11-,15+/m1/s1.
What are the key properties of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide?
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(methylamino)-5-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 164564292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).