N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine

C15H22N4 — CID 107172040

IUPACN-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine
SMILESCN(Cc1c[nH]c2ncccc12)C1CCCNCC1
InChIInChI=1S/C15H22N4/c1-19(13-4-2-7-16-9-6-13)11-12-10-18-15-14(12)5-3-8-17-15/h3,5,8,10,13,16H,2,4,6-7,9,11H2,1H3,(H,17,18)
InChIKeyVKTGTZRVRMWXDI-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.14
Rot. Bonds3

About N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine

N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine (PubChem CID 107172040) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine
PubChem CID107172040
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine
SMILESCN(Cc1c[nH]c2ncccc12)C1CCCNCC1
InChIInChI=1S/C15H22N4/c1-19(13-4-2-7-16-9-6-13)11-12-10-18-15-14(12)5-3-8-17-15/h3,5,8,10,13,16H,2,4,6-7,9,11H2,1H3,(H,17,18)
InChIKeyVKTGTZRVRMWXDI-UHFFFAOYSA-N
XLogP2.14
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
CID 104979426
N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine
CID 95854323
N-methyl-2-piperazin-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66410620
N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine
CID 107171927
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
N-methyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 63904236
N-(piperidin-3-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119462262
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
CID 66415273

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine?
The IUPAC name of N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine (CID 107172040) is N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine is CN(Cc1c[nH]c2ncccc12)C1CCCNCC1.
What is the InChIKey of N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine?
The InChIKey is VKTGTZRVRMWXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-19(13-4-2-7-16-9-6-13)11-12-10-18-15-14(12)5-3-8-17-15/h3,5,8,10,13,16H,2,4,6-7,9,11H2,1H3,(H,17,18).
What are the key properties of N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine?
N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine has a molecular weight of 258.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine is sourced from PubChem (CID 107172040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).