5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile

C20H12F3N7 — CID 58645555

IUPAC5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile
SMILESCc1ccc(C#N)nc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2n1
InChIInChI=1S/C20H12F3N7/c1-11-2-3-13(8-24)28-17(11)16-5-4-14-15(6-7-25-18(14)29-16)30-19-26-9-12(10-27-19)20(21,22)23/h2-7,9-10H,1H3,(H,25,26,27,29,30)
InChIKeyDJWWZQUHVYMXQM-UHFFFAOYSA-N
MW407.36 g/mol
LogP4.42
Rot. Bonds3

About 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile

5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile (PubChem CID 58645555) has the molecular formula C20H12F3N7 and a molecular weight of 407.36 g/mol. Its IUPAC name is 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile
PubChem CID58645555
Molecular FormulaC20H12F3N7
Molecular Weight407.36 g/mol
Exact Mass407.11
IUPAC Name5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile
SMILESCc1ccc(C#N)nc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2n1
InChIInChI=1S/C20H12F3N7/c1-11-2-3-13(8-24)28-17(11)16-5-4-14-15(6-7-25-18(14)29-16)30-19-26-9-12(10-27-19)20(21,22)23/h2-7,9-10H,1H3,(H,25,26,27,29,30)
InChIKeyDJWWZQUHVYMXQM-UHFFFAOYSA-N
XLogP4.42
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile (CID 58645555) is 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile is Cc1ccc(C#N)nc1-c1ccc2c(Nc3ncc(C(F)(F)F)cn3)ccnc2n1.
What is the InChIKey of 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile?
The InChIKey is DJWWZQUHVYMXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N7/c1-11-2-3-13(8-24)28-17(11)16-5-4-14-15(6-7-25-18(14)29-16)30-19-26-9-12(10-27-19)20(21,22)23/h2-7,9-10H,1H3,(H,25,26,27,29,30).
What are the key properties of 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile?
5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile has a molecular weight of 407.36 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 58645555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).