1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine

C16H20N4 — CID 90924542

IUPAC1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine
SMILESC1=CN(C2CC=NC3C=NCCC32)C2=C(C1)CC=NC2
InChIInChI=1S/C16H20N4/c1-2-12-3-6-18-11-16(12)20(9-1)15-5-8-19-14-10-17-7-4-13(14)15/h1,6,8-10,13-15H,2-5,7,11H2
InChIKeyCODQMDNUNKSWNC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.24
Rot. Bonds1

About 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine

1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine (PubChem CID 90924542) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine.

Molecular Properties

Compound Name1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine
PubChem CID90924542
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine
SMILESC1=CN(C2CC=NC3C=NCCC32)C2=C(C1)CC=NC2
InChIInChI=1S/C16H20N4/c1-2-12-3-6-18-11-16(12)20(9-1)15-5-8-19-14-10-17-7-4-13(14)15/h1,6,8-10,13-15H,2-5,7,11H2
InChIKeyCODQMDNUNKSWNC-UHFFFAOYSA-N
XLogP2.24
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7,14-Triazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-3,5,11,16,18-pentaene
CID 23049931
4,7,14-Triazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-3,5,10,16,18-pentaene
CID 70366958
5-[3-[4-(2,3-Dihydropyridin-4-yl)piperazin-1-yl]-2,5-dihydropyridin-2-yl]-3,4,5,6-tetrahydroquinoline
CID 123719552

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine?
The IUPAC name of 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine (CID 90924542) is 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine.
What is the SMILES notation for 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine?
The canonical SMILES for 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine is C1=CN(C2CC=NC3C=NCCC32)C2=C(C1)CC=NC2.
What is the InChIKey of 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine?
The InChIKey is CODQMDNUNKSWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-12-3-6-18-11-16(12)20(9-1)15-5-8-19-14-10-17-7-4-13(14)15/h1,6,8-10,13-15H,2-5,7,11H2.
What are the key properties of 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine?
1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine has a molecular weight of 268.36 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,8a-hexahydro-1,7-naphthyridin-4-yl)-5,8-dihydro-4H-1,7-naphthyridine is sourced from PubChem (CID 90924542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).