6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine

C16H21N5 — CID 67519428

IUPAC6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCCN(Cc3ccccn3)CC2)nc1
InChIInChI=1S/C16H21N5/c17-14-5-6-16(19-12-14)21-9-3-8-20(10-11-21)13-15-4-1-2-7-18-15/h1-2,4-7,12H,3,8-11,13,17H2
InChIKeyPWFBVGZPOLQFGC-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.77
Rot. Bonds3

About 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine

6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine (PubChem CID 67519428) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
PubChem CID67519428
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCCN(Cc3ccccn3)CC2)nc1
InChIInChI=1S/C16H21N5/c17-14-5-6-16(19-12-14)21-9-3-8-20(10-11-21)13-15-4-1-2-7-18-15/h1-2,4-7,12H,3,8-11,13,17H2
InChIKeyPWFBVGZPOLQFGC-UHFFFAOYSA-N
XLogP1.77
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817
morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone
CID 135111291
6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519532
6-[4-(1,3-benzodioxol-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519518
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]aniline
CID 19626880
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 138989106
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 112640956
5-chloro-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridazin-4-amine
CID 71850443
1-(1H-imidazol-2-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 3597309
1-[(2-methoxypyrimidin-5-yl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 131901461

Frequently Asked Questions

What is the IUPAC name of 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine (CID 67519428) is 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine is Nc1ccc(N2CCCN(Cc3ccccn3)CC2)nc1.
What is the InChIKey of 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine?
The InChIKey is PWFBVGZPOLQFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-14-5-6-16(19-12-14)21-9-3-8-20(10-11-21)13-15-4-1-2-7-18-15/h1-2,4-7,12H,3,8-11,13,17H2.
What are the key properties of 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine?
6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine is sourced from PubChem (CID 67519428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).