6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine

C24H29FN6 — CID 123652066

IUPAC6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
SMILESCCC(F)(CNc1cccc(NCCc2ccccn2)n1)c1ccc2c(n1)NCCC2
InChIInChI=1S/C24H29FN6/c1-2-24(25,20-12-11-18-7-6-15-28-23(18)30-20)17-29-22-10-5-9-21(31-22)27-16-13-19-8-3-4-14-26-19/h3-5,8-12,14H,2,6-7,13,15-17H2,1H3,(H,28,30)(H2,27,29,31)
InChIKeyKRTAZHCAGZYGQM-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.57
Rot. Bonds9

About 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine

6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine (PubChem CID 123652066) has the molecular formula C24H29FN6 and a molecular weight of 420.54 g/mol. Its IUPAC name is 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
PubChem CID123652066
Molecular FormulaC24H29FN6
Molecular Weight420.54 g/mol
Exact Mass420.24
IUPAC Name6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
SMILESCCC(F)(CNc1cccc(NCCc2ccccn2)n1)c1ccc2c(n1)NCCC2
InChIInChI=1S/C24H29FN6/c1-2-24(25,20-12-11-18-7-6-15-28-23(18)30-20)17-29-22-10-5-9-21(31-22)27-16-13-19-8-3-4-14-26-19/h3-5,8-12,14H,2,6-7,13,15-17H2,1H3,(H,28,30)(H2,27,29,31)
InChIKeyKRTAZHCAGZYGQM-UHFFFAOYSA-N
XLogP4.57
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-hydrazinyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 80932444
2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 137474323
N-(2,2-dimethylpropyl)-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 91090373
6-methoxy-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63591274
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
4-N-(2-pyridin-2-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563804
N-ethyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243794
4-phenoxy-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]benzenesulfonamide
CID 71590322
N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422349
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
6-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80938770
6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717234

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine (CID 123652066) is 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine is CCC(F)(CNc1cccc(NCCc2ccccn2)n1)c1ccc2c(n1)NCCC2.
What is the InChIKey of 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine?
The InChIKey is KRTAZHCAGZYGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6/c1-2-24(25,20-12-11-18-7-6-15-28-23(18)30-20)17-29-22-10-5-9-21(31-22)27-16-13-19-8-3-4-14-26-19/h3-5,8-12,14H,2,6-7,13,15-17H2,1H3,(H,28,30)(H2,27,29,31).
What are the key properties of 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine?
6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine has a molecular weight of 420.54 g/mol, XLogP of 4.57, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-fluoro-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine is sourced from PubChem (CID 123652066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).