(2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine

C14H19N3 — CID 84692905

IUPAC(2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCn1c(C2CCCC2)c(CN)c2cccnc21
InChIInChI=1S/C14H19N3/c1-17-13(10-5-2-3-6-10)12(9-15)11-7-4-8-16-14(11)17/h4,7-8,10H,2-3,5-6,9,15H2,1H3
InChIKeyORQVSIDCSLYMOO-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.69
Rot. Bonds2

About (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine

(2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine (PubChem CID 84692905) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
PubChem CID84692905
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
SMILESCn1c(C2CCCC2)c(CN)c2cccnc21
InChIInChI=1S/C14H19N3/c1-17-13(10-5-2-3-6-10)12(9-15)11-7-4-8-16-14(11)17/h4,7-8,10H,2-3,5-6,9,15H2,1H3
InChIKeyORQVSIDCSLYMOO-UHFFFAOYSA-N
XLogP2.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84670204
(1-methyl-2-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84671774
2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84681728
2-cyclopentyl-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 164614546
2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid
CID 84693471
1,2-dimethylpyrrolo[2,3-b]pyridin-3-amine
CID 82415409
(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 96855329
9-methylpyrido[2,3-b]indole
CID 12596580
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
2-[2-cyclopropyl-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylacetamide
CID 92605893
ethane;9-methylpyrido[2,3-b]indole;propane
CID 171072564
[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416482

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The IUPAC name of (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine (CID 84692905) is (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine.
What is the SMILES notation for (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The canonical SMILES for (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine is Cn1c(C2CCCC2)c(CN)c2cccnc21.
What is the InChIKey of (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
The InChIKey is ORQVSIDCSLYMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-13(10-5-2-3-6-10)12(9-15)11-7-4-8-16-14(11)17/h4,7-8,10H,2-3,5-6,9,15H2,1H3.
What are the key properties of (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine?
(2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine is sourced from PubChem (CID 84692905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).