6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine

C14H22N4 — CID 63151098

IUPAC6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine
SMILESCc1cc(N)cnc1N1CCCN2CCCC2C1
InChIInChI=1S/C14H22N4/c1-11-8-12(15)9-16-14(11)18-7-3-6-17-5-2-4-13(17)10-18/h8-9,13H,2-7,10,15H2,1H3
InChIKeyIDSOQXVSGIPZGS-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.65
Rot. Bonds1

About 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine

6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine (PubChem CID 63151098) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine
PubChem CID63151098
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine
SMILESCc1cc(N)cnc1N1CCCN2CCCC2C1
InChIInChI=1S/C14H22N4/c1-11-8-12(15)9-16-14(11)18-7-3-6-17-5-2-4-13(17)10-18/h8-9,13H,2-7,10,15H2,1H3
InChIKeyIDSOQXVSGIPZGS-UHFFFAOYSA-N
XLogP1.65
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547268
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547126
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine
CID 44547127
N-butyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547568
1-Methyl-4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-yl)-1,4-diazepane
CID 46230079
1-(6-(Pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-2-yl)-1,4-diazepane
CID 46230081
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 117724523
2-(4-Methylpiperazin-1-yl)pyridin-3-amine
CID 199808
2-(1H-pyrrol-1-yl)pyridin-3-amine
CID 13451580
1-(3-Methylpyridin-2-yl)-1,4-diazepane
CID 16740663
[2-(Pyrrolidin-1-yl)pyridin-3-yl]methanamine
CID 16794395
8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene
CID 476250

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine?
The IUPAC name of 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine (CID 63151098) is 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine.
What is the SMILES notation for 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine?
The canonical SMILES for 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine is Cc1cc(N)cnc1N1CCCN2CCCC2C1.
What is the InChIKey of 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine?
The InChIKey is IDSOQXVSGIPZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-8-12(15)9-16-14(11)18-7-3-6-17-5-2-4-13(17)10-18/h8-9,13H,2-7,10,15H2,1H3.
What are the key properties of 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine?
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine has a molecular weight of 246.36 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylpyridin-3-amine is sourced from PubChem (CID 63151098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).