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

C17H20F2N4 — CID 67519532

IUPAC6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCCN(Cc3cccc(F)c3F)CC2)nc1
InChIInChI=1S/C17H20F2N4/c18-15-4-1-3-13(17(15)19)12-22-7-2-8-23(10-9-22)16-6-5-14(20)11-21-16/h1,3-6,11H,2,7-10,12,20H2
InChIKeyDFSUASVTYXIYFR-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.65
Rot. Bonds3

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

6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine (PubChem CID 67519532) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine
PubChem CID67519532
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCCN(Cc3cccc(F)c3F)CC2)nc1
InChIInChI=1S/C17H20F2N4/c18-15-4-1-3-13(17(15)19)12-22-7-2-8-23(10-9-22)16-6-5-14(20)11-21-16/h1,3-6,11H,2,7-10,12,20H2
InChIKeyDFSUASVTYXIYFR-UHFFFAOYSA-N
XLogP2.65
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(1,3-benzodioxol-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519518
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 173077876
6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519428
6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161640
6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 62734933
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
N-[6-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 46053907
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 112640956
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128
6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine (CID 67519532) is 6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine is Nc1ccc(N2CCCN(Cc3cccc(F)c3F)CC2)nc1.
What is the InChIKey of 6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine?
The InChIKey is DFSUASVTYXIYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c18-15-4-1-3-13(17(15)19)12-22-7-2-8-23(10-9-22)16-6-5-14(20)11-21-16/h1,3-6,11H,2,7-10,12,20H2.
What are the key properties of 6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine?
6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine has a molecular weight of 318.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine is sourced from PubChem (CID 67519532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).