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

C21H19F4N3O2 — CID 69401436

IUPACN-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc2c(n1)CCN(C(=O)c1c(F)cccc1C(F)(F)F)C2
InChIInChI=1S/C21H19F4N3O2/c22-15-3-1-2-14(21(23,24)25)18(15)20(30)28-9-8-16-13(11-28)6-7-17(27-16)19(29)26-10-12-4-5-12/h1-3,6-7,12H,4-5,8-11H2,(H,26,29)
InChIKeyDGEAYZSHZSZFHC-UHFFFAOYSA-N
MW421.39 g/mol
LogP3.58
Rot. Bonds4

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

N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (PubChem CID 69401436) has the molecular formula C21H19F4N3O2 and a molecular weight of 421.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
PubChem CID69401436
Molecular FormulaC21H19F4N3O2
Molecular Weight421.39 g/mol
Exact Mass421.14
IUPAC NameN-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc2c(n1)CCN(C(=O)c1c(F)cccc1C(F)(F)F)C2
InChIInChI=1S/C21H19F4N3O2/c22-15-3-1-2-14(21(23,24)25)18(15)20(30)28-9-8-16-13(11-28)6-7-17(27-16)19(29)26-10-12-4-5-12/h1-3,6-7,12H,4-5,8-11H2,(H,26,29)
InChIKeyDGEAYZSHZSZFHC-UHFFFAOYSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
N-(2-cyclopropyl-2-hydroxyethyl)-6-[2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 16662646
N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 69400082
6-[5-fluoro-2-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 69398290
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 115752999
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378
6-[3-[2-fluoro-6-(trifluoromethyl)benzoyl]-2,4-dihydropyrimidin-1-yl]pyridazine-3-carboxylic acid
CID 69398476
N-hydroxy-6-(2-methyl-1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 88578268
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (CID 69401436) is N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is O=C(NCC1CC1)c1ccc2c(n1)CCN(C(=O)c1c(F)cccc1C(F)(F)F)C2.
What is the InChIKey of N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The InChIKey is DGEAYZSHZSZFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2/c22-15-3-1-2-14(21(23,24)25)18(15)20(30)28-9-8-16-13(11-28)6-7-17(27-16)19(29)26-10-12-4-5-12/h1-3,6-7,12H,4-5,8-11H2,(H,26,29).
What are the key properties of N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide has a molecular weight of 421.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[2-fluoro-6-(trifluoromethyl)benzoyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 69401436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).