2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide

C15H13F2N3O — CID 90011648

IUPAC2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide
SMILESO=C(Nc1ccc2c(n1)NCCC2)c1c(F)cccc1F
InChIInChI=1S/C15H13F2N3O/c16-10-4-1-5-11(17)13(10)15(21)20-12-7-6-9-3-2-8-18-14(9)19-12/h1,4-7H,2-3,8H2,(H2,18,19,20,21)
InChIKeyDKHKMUKAYSJCNX-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.97
Rot. Bonds2

About 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide

2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide (PubChem CID 90011648) has the molecular formula C15H13F2N3O and a molecular weight of 289.28 g/mol. Its IUPAC name is 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide
PubChem CID90011648
Molecular FormulaC15H13F2N3O
Molecular Weight289.28 g/mol
Exact Mass289.10
IUPAC Name2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide
SMILESO=C(Nc1ccc2c(n1)NCCC2)c1c(F)cccc1F
InChIInChI=1S/C15H13F2N3O/c16-10-4-1-5-11(17)13(10)15(21)20-12-7-6-9-3-2-8-18-14(9)19-12/h1,4-7H,2-3,8H2,(H2,18,19,20,21)
InChIKeyDKHKMUKAYSJCNX-UHFFFAOYSA-N
XLogP2.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590230
1-(2-chloro-6-fluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590317
2,6-difluoro-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide
CID 71590443
2-[(2-chloro-3-fluorobenzoyl)amino]-5-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]pentanoic acid
CID 146462785
N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054793
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]propanoic acid
CID 68975180
1-(4-fluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887059
2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide
CID 59738062
1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 70887077
(2S)-2-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propoxy]phenyl]propanoic acid
CID 134394377
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide (CID 90011648) is 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide is O=C(Nc1ccc2c(n1)NCCC2)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide?
The InChIKey is DKHKMUKAYSJCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-10-4-1-5-11(17)13(10)15(21)20-12-7-6-9-3-2-8-18-14(9)19-12/h1,4-7H,2-3,8H2,(H2,18,19,20,21).
What are the key properties of 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide?
2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide has a molecular weight of 289.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide is sourced from PubChem (CID 90011648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).