1-furo[3,2-b]pyridin-6-ylazepan-2-amine

C13H17N3O — CID 54235617

IUPAC1-furo[3,2-b]pyridin-6-ylazepan-2-amine
SMILESNC1CCCCCN1c1cnc2ccoc2c1
InChIInChI=1S/C13H17N3O/c14-13-4-2-1-3-6-16(13)10-8-12-11(15-9-10)5-7-17-12/h5,7-9,13H,1-4,6,14H2
InChIKeyQMJDXRTVOPXZFB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.49
Rot. Bonds1

About 1-furo[3,2-b]pyridin-6-ylazepan-2-amine

1-furo[3,2-b]pyridin-6-ylazepan-2-amine (PubChem CID 54235617) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-furo[3,2-b]pyridin-6-ylazepan-2-amine.

Molecular Properties

Compound Name1-furo[3,2-b]pyridin-6-ylazepan-2-amine
PubChem CID54235617
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-furo[3,2-b]pyridin-6-ylazepan-2-amine
SMILESNC1CCCCCN1c1cnc2ccoc2c1
InChIInChI=1S/C13H17N3O/c14-13-4-2-1-3-6-16(13)10-8-12-11(15-9-10)5-7-17-12/h5,7-9,13H,1-4,6,14H2
InChIKeyQMJDXRTVOPXZFB-UHFFFAOYSA-N
XLogP2.49
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoazepan-1-yl)pyridine-3-carbonitrile
CID 69203941
6-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]furo[3,2-b]pyridine
CID 66757929
1-(5-fluoro-3-pyridinyl)pyrrolidin-2-amine
CID 69205439
6-iodofuro[3,2-b]pyridine
CID 46736890
1-pyridin-3-ylpyrrolidin-2-amine
CID 54403911
2-(1-furo[3,2-c]pyridin-4-ylpiperidin-2-yl)ethanamine
CID 106535303
(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 167751397
1-furo[3,2-b]pyridin-6-yl-N-methylpyrrolidin-1-ium-1-amine
CID 22602914
1-furo[3,2-c]pyridin-4-ylpiperidine-2-carbaldehyde
CID 106535618
5-(2-methylpiperidin-1-yl)pyridin-2-amine
CID 43188334
1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-2-amine
CID 150911781
1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83122710

Frequently Asked Questions

What is the IUPAC name of 1-furo[3,2-b]pyridin-6-ylazepan-2-amine?
The IUPAC name of 1-furo[3,2-b]pyridin-6-ylazepan-2-amine (CID 54235617) is 1-furo[3,2-b]pyridin-6-ylazepan-2-amine.
What is the SMILES notation for 1-furo[3,2-b]pyridin-6-ylazepan-2-amine?
The canonical SMILES for 1-furo[3,2-b]pyridin-6-ylazepan-2-amine is NC1CCCCCN1c1cnc2ccoc2c1.
What is the InChIKey of 1-furo[3,2-b]pyridin-6-ylazepan-2-amine?
The InChIKey is QMJDXRTVOPXZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13-4-2-1-3-6-16(13)10-8-12-11(15-9-10)5-7-17-12/h5,7-9,13H,1-4,6,14H2.
What are the key properties of 1-furo[3,2-b]pyridin-6-ylazepan-2-amine?
1-furo[3,2-b]pyridin-6-ylazepan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-furo[3,2-b]pyridin-6-ylazepan-2-amine is sourced from PubChem (CID 54235617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).