N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

C17H17ClF2N4O — CID 164548632

IUPACN-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCCC1c2ccnc(F)c2CC(C)N1C(=O)Nc1cnc(Cl)cc1F
InChIInChI=1S/C17H17ClF2N4O/c1-3-14-10-4-5-21-16(20)11(10)6-9(2)24(14)17(25)23-13-8-22-15(18)7-12(13)19/h4-5,7-9,14H,3,6H2,1-2H3,(H,23,25)
InChIKeyPUVUZKLFBBCVTM-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.34
Rot. Bonds2

About N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide

N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (PubChem CID 164548632) has the molecular formula C17H17ClF2N4O and a molecular weight of 366.80 g/mol. Its IUPAC name is N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
PubChem CID164548632
Molecular FormulaC17H17ClF2N4O
Molecular Weight366.80 g/mol
Exact Mass366.11
IUPAC NameN-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide
SMILESCCC1c2ccnc(F)c2CC(C)N1C(=O)Nc1cnc(Cl)cc1F
InChIInChI=1S/C17H17ClF2N4O/c1-3-14-10-4-5-21-16(20)11(10)6-9(2)24(14)17(25)23-13-8-22-15(18)7-12(13)19/h4-5,7-9,14H,3,6H2,1-2H3,(H,23,25)
InChIKeyPUVUZKLFBBCVTM-UHFFFAOYSA-N
XLogP4.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-4-fluoro-3-pyridinyl)-6-fluoro-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
CID 164548637
(1R)-N-cyano-N'-(4,5-dichloro-2-fluorophenyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboximidamide
CID 166098772
(1R,9S)-N-[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-6-fluoro-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
CID 168862573
(1S,9R)-N-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-6-fluoro-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
CID 168862523
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-fluoro-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide;methyl 2-chloro-4-fluoro-5-[(6-fluoro-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carbonyl)amino]benzoate
CID 175889351
N-[5-chloro-2-fluoro-4-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]-8-ethyl-6-methyl-3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxamide
CID 172564595
N-(4-chloro-3-cyanophenyl)-6-fluoro-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
CID 168862443
(1R,9S)-6-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
CID 168862552
N-(3-cyano-4-fluorophenyl)-6-fluoro-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
CID 168862795
(1S,9R)-6-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
CID 164548771
(5S)-N-[2-fluoro-5-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 176763784

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The IUPAC name of N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide (CID 164548632) is N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is CCC1c2ccnc(F)c2CC(C)N1C(=O)Nc1cnc(Cl)cc1F.
What is the InChIKey of N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
The InChIKey is PUVUZKLFBBCVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N4O/c1-3-14-10-4-5-21-16(20)11(10)6-9(2)24(14)17(25)23-13-8-22-15(18)7-12(13)19/h4-5,7-9,14H,3,6H2,1-2H3,(H,23,25).
What are the key properties of N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide?
N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide has a molecular weight of 366.80 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-fluoro-3-pyridinyl)-1-ethyl-5-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 164548632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).