7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C21H26N6O — CID 4892295

IUPAC7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(NCc3ccccn3)nc(NCC3CCCO3)c2C1
InChIInChI=1S/C21H26N6O/c1-27-9-7-17-18(11-22)20(24-12-15-5-2-3-8-23-15)26-21(19(17)14-27)25-13-16-6-4-10-28-16/h2-3,5,8,16H,4,6-7,9-10,12-14H2,1H3,(H2,24,25,26)
InChIKeyPDXVDHVGXOWRNM-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.54
Rot. Bonds6

About 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 4892295) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID4892295
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(NCc3ccccn3)nc(NCC3CCCO3)c2C1
InChIInChI=1S/C21H26N6O/c1-27-9-7-17-18(11-22)20(24-12-15-5-2-3-8-23-15)26-21(19(17)14-27)25-13-16-6-4-10-28-16/h2-3,5,8,16H,4,6-7,9-10,12-14H2,1H3,(H2,24,25,26)
InChIKeyPDXVDHVGXOWRNM-UHFFFAOYSA-N
XLogP2.54
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile with MolForge

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Related Compounds

3-[2-(2-hydroxyethoxy)ethylamino]-7-methyl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4891837
3-[3-(diethylamino)propylamino]-7-methyl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4886637
3-[[(2R)-oxolan-2-yl]methylamino]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 29072194
3-(benzylamino)-7-methyl-1-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 1400740
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912422
1-(benzylamino)-3-chloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 823255
5-N-(oxolan-2-ylmethyl)-3-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944366
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462550
6-methyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 138014265
9-benzyl-5-(oxolan-2-ylmethylamino)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
CID 42650093

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 4892295) is 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CN1CCc2c(C#N)c(NCc3ccccn3)nc(NCC3CCCO3)c2C1.
What is the InChIKey of 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is PDXVDHVGXOWRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-27-9-7-17-18(11-22)20(24-12-15-5-2-3-8-23-15)26-21(19(17)14-27)25-13-16-6-4-10-28-16/h2-3,5,8,16H,4,6-7,9-10,12-14H2,1H3,(H2,24,25,26).
What are the key properties of 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 378.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(oxolan-2-ylmethylamino)-3-(pyridin-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 4892295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).