3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine

C21H22F3N7 — CID 11224138

IUPAC3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine
SMILESCc1nccnc1N1CCc2c(cc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C21H22F3N7/c1-13-20(26-8-7-25-13)31-9-6-16-14(12-31)10-18(30(2)3)29-19(16)28-15-4-5-17(27-11-15)21(22,23)24/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,28,29)
InChIKeyQEUHJNBGTSKFCW-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.97
Rot. Bonds4

About 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine

3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine (PubChem CID 11224138) has the molecular formula C21H22F3N7 and a molecular weight of 429.45 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine
PubChem CID11224138
Molecular FormulaC21H22F3N7
Molecular Weight429.45 g/mol
Exact Mass429.19
IUPAC Name3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine
SMILESCc1nccnc1N1CCc2c(cc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C21H22F3N7/c1-13-20(26-8-7-25-13)31-9-6-16-14(12-31)10-18(30(2)3)29-19(16)28-15-4-5-17(27-11-15)21(22,23)24/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,28,29)
InChIKeyQEUHJNBGTSKFCW-UHFFFAOYSA-N
XLogP3.97
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine (CID 11224138) is 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine is Cc1nccnc1N1CCc2c(cc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine?
The InChIKey is QEUHJNBGTSKFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7/c1-13-20(26-8-7-25-13)31-9-6-16-14(12-31)10-18(30(2)3)29-19(16)28-15-4-5-17(27-11-15)21(22,23)24/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,28,29).
What are the key properties of 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine?
3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine has a molecular weight of 429.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-6-(3-methylpyrazin-2-yl)-1-N-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-1,3-diamine is sourced from PubChem (CID 11224138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).