6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine

C17H16F2N4 — CID 158379420

IUPAC6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine
SMILESCc1ccccc1-c1cc2cc(NCC(F)F)ncc2c(N)n1
InChIInChI=1S/C17H16F2N4/c1-10-4-2-3-5-12(10)14-6-11-7-16(22-9-15(18)19)21-8-13(11)17(20)23-14/h2-8,15H,9H2,1H3,(H2,20,23)(H,21,22)
InChIKeyUZPAGRPLKHSSKL-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.86
Rot. Bonds4

About 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine

6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine (PubChem CID 158379420) has the molecular formula C17H16F2N4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine
PubChem CID158379420
Molecular FormulaC17H16F2N4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine
SMILESCc1ccccc1-c1cc2cc(NCC(F)F)ncc2c(N)n1
InChIInChI=1S/C17H16F2N4/c1-10-4-2-3-5-12(10)14-6-11-7-16(22-9-15(18)19)21-8-13(11)17(20)23-14/h2-8,15H,9H2,1H3,(H2,20,23)(H,21,22)
InChIKeyUZPAGRPLKHSSKL-UHFFFAOYSA-N
XLogP3.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol
CID 157232588
(1R,2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)-3-methylcyclopropane-1-carboxamide
CID 158074691
2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
CID 83266255
6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[1-(dimethylamino)ethenyl]-4-methyl-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(7-methyl-8-methylidenepyrido[2,3-d]pyridazin-3-yl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 161125132
(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide
CID 158742081
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
cis-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 158215119
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 158709120
(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 158533102
4-[1-amino-6-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-3-methylbenzamide
CID 139468854
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide
CID 160702404
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine (CID 158379420) is 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine is Cc1ccccc1-c1cc2cc(NCC(F)F)ncc2c(N)n1.
What is the InChIKey of 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is UZPAGRPLKHSSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4/c1-10-4-2-3-5-12(10)14-6-11-7-16(22-9-15(18)19)21-8-13(11)17(20)23-14/h2-8,15H,9H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine?
6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 314.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 158379420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).