N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine

C13H18N4 — CID 151731068

IUPACN-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine
SMILESCNC1CCCN(c2cnc3[nH]ccc3c2)C1
InChIInChI=1S/C13H18N4/c1-14-11-3-2-6-17(9-11)12-7-10-4-5-15-13(10)16-8-12/h4-5,7-8,11,14H,2-3,6,9H2,1H3,(H,15,16)
InChIKeyRKOJQKGYBLNQMP-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.75
Rot. Bonds2

About N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine

N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine (PubChem CID 151731068) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine
PubChem CID151731068
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine
SMILESCNC1CCCN(c2cnc3[nH]ccc3c2)C1
InChIInChI=1S/C13H18N4/c1-14-11-3-2-6-17(9-11)12-7-10-4-5-15-13(10)16-8-12/h4-5,7-8,11,14H,2-3,6,9H2,1H3,(H,15,16)
InChIKeyRKOJQKGYBLNQMP-UHFFFAOYSA-N
XLogP1.75
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 135332401
N-methyl-1-(5-methyl-3-pyridinyl)piperidin-3-amine
CID 107586864
(3R)-1-(6-bromo-5-ethoxy-3-pyridinyl)-N-methylpiperidin-3-amine
CID 87733055
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
1-(4-bromo-3-chlorophenyl)-N-methylpiperidin-3-amine
CID 107617221
N-methyl-1-pyridin-3-ylazepan-3-amine
CID 10219904
6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one
CID 168978283
5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 59774841
N-methyl-1-(5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 107585704
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine
CID 97164747
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine (CID 151731068) is N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine is CNC1CCCN(c2cnc3[nH]ccc3c2)C1.
What is the InChIKey of N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine?
The InChIKey is RKOJQKGYBLNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-14-11-3-2-6-17(9-11)12-7-10-4-5-15-13(10)16-8-12/h4-5,7-8,11,14H,2-3,6,9H2,1H3,(H,15,16).
What are the key properties of N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine?
N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine is sourced from PubChem (CID 151731068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).