N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

C22H22F3N3O3 — CID 16662646

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC(O)C1CC1)c1ccc2c(n1)CCN(C(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)16-4-2-1-3-15(16)21(31)28-10-9-17-14(12-28)7-8-18(27-17)20(30)26-11-19(29)13-5-6-13/h1-4,7-8,13,19,29H,5-6,9-12H2,(H,26,30)
InChIKeyXGWOUKJOPUNEFU-UHFFFAOYSA-N
MW433.43 g/mol
LogP2.80
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (PubChem CID 16662646) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
PubChem CID16662646
Molecular FormulaC22H22F3N3O3
Molecular Weight433.43 g/mol
Exact Mass433.16
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC(O)C1CC1)c1ccc2c(n1)CCN(C(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C22H22F3N3O3/c23-22(24,25)16-4-2-1-3-15(16)21(31)28-10-9-17-14(12-28)7-8-18(27-17)20(30)26-11-19(29)13-5-6-13/h1-4,7-8,13,19,29H,5-6,9-12H2,(H,26,30)
InChIKeyXGWOUKJOPUNEFU-UHFFFAOYSA-N
XLogP2.80
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-2-carboxamide
CID 146840285
4-[5-fluoro-6-[[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-2-pyridinyl]-N,N-dipropylbenzamide
CID 68312460
(S)-2-{[5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carbonyl]-amino}-4-methyl-pentanoic acid
CID 71087637
6-Cyclohexyl-pyridine-2-carboxylic acid (2-hydroxy-cyclohexyl)-amide
CID 71105584
7,7-Dimethyl-5,6,7,8-tetrahydro-quinoline-2-carboxylic acid ((R)-2-cyclopropyl-2-hydroxy-propyl)-amide
CID 71105623
N-[3-[[4-(2-methoxypropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 72705784
[5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridin-2-yl]-(1,8-diaza-spiro[4.5]dec-1-yl)-methanone
CID 76281070
N-[1-Acetyl-4-(2-amino-2-oxoethyl)piperidin-4-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 76285873
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(pyridin-2-yl)benzamide
CID 76903070
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-4-(pyridin-2-yl)benzamide
CID 76903259
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)picolinamide
CID 76903263
N-[3-[[4-(1-hydroxybutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118521894

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (CID 16662646) is N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is O=C(NCC(O)C1CC1)c1ccc2c(n1)CCN(C(=O)c1ccccc1C(F)(F)F)C2.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The InChIKey is XGWOUKJOPUNEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c23-22(24,25)16-4-2-1-3-15(16)21(31)28-10-9-17-14(12-28)7-8-18(27-17)20(30)26-11-19(29)13-5-6-13/h1-4,7-8,13,19,29H,5-6,9-12H2,(H,26,30).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 16662646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).