[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine

C11H13N3 — CID 66409066

IUPAC[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(Cc2cccnc2)c1
InChIInChI=1S/C11H13N3/c12-6-10-3-5-14(8-10)9-11-2-1-4-13-7-11/h1-5,7-8H,6,9,12H2
InChIKeyUJNBPKMNFHRSSI-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.39
Rot. Bonds3

About [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine

[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine (PubChem CID 66409066) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine
PubChem CID66409066
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine
SMILESNCc1ccn(Cc2cccnc2)c1
InChIInChI=1S/C11H13N3/c12-6-10-3-5-14(8-10)9-11-2-1-4-13-7-11/h1-5,7-8H,6,9,12H2
InChIKeyUJNBPKMNFHRSSI-UHFFFAOYSA-N
XLogP1.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine?
The IUPAC name of [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine (CID 66409066) is [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine?
The canonical SMILES for [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine is NCc1ccn(Cc2cccnc2)c1.
What is the InChIKey of [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine?
The InChIKey is UJNBPKMNFHRSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-6-10-3-5-14(8-10)9-11-2-1-4-13-7-11/h1-5,7-8H,6,9,12H2.
What are the key properties of [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine?
[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 66409066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).