[1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine

C13H18N4 — CID 83840473

IUPAC[1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCn1ccc2c(N3CCC(CN)C3)ccnc21
InChIInChI=1S/C13H18N4/c1-16-6-4-11-12(2-5-15-13(11)16)17-7-3-10(8-14)9-17/h2,4-6,10H,3,7-9,14H2,1H3
InChIKeyGWJFKUWIQOIVNO-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.36
Rot. Bonds2

About [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine

[1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 83840473) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID83840473
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCn1ccc2c(N3CCC(CN)C3)ccnc21
InChIInChI=1S/C13H18N4/c1-16-6-4-11-12(2-5-15-13(11)16)17-7-3-10(8-14)9-17/h2,4-6,10H,3,7-9,14H2,1H3
InChIKeyGWJFKUWIQOIVNO-UHFFFAOYSA-N
XLogP1.36
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(aminomethyl)piperidin-1-yl]-1-methyl-1,8-naphthyridin-2-one
CID 164563721
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79044078
(1-isoquinolin-1-ylpyrrolidin-3-yl)methanamine
CID 115492061
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 106876092
[1-(1-propylimidazol-2-yl)pyrrolidin-3-yl]methanamine
CID 63975836
[1-(1-methylimidazol-2-yl)piperidin-3-yl]methanamine
CID 62132389
7-[3-(aminomethyl)pyrrolidin-1-yl]-8-(fluoromethyl)quinolin-5-amine
CID 174861457
4-(3-propylpyrrolidin-1-yl)quinolin-7-amine
CID 103001744
[1-(2-methyl-1,3-benzothiazol-4-yl)pyrrolidin-3-yl]methanamine
CID 82383711
1-(1-methylpyrrolo[3,2-b]pyridin-7-yl)piperidin-3-amine
CID 83840471

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine (CID 83840473) is [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine is Cn1ccc2c(N3CCC(CN)C3)ccnc21.
What is the InChIKey of [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is GWJFKUWIQOIVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-6-4-11-12(2-5-15-13(11)16)17-7-3-10(8-14)9-17/h2,4-6,10H,3,7-9,14H2,1H3.
What are the key properties of [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine?
[1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 83840473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).