2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine

C14H18N4 — CID 55060167

IUPAC2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
SMILESc1c[nH]c(CNc2cccnc2N2CCCC2)c1
InChIInChI=1S/C14H18N4/c1-2-10-18(9-1)14-13(6-4-8-16-14)17-11-12-5-3-7-15-12/h3-8,15,17H,1-2,9-11H2
InChIKeyNBJHXHJZEBCUHQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.62
Rot. Bonds4

About 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine

2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine (PubChem CID 55060167) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
PubChem CID55060167
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
SMILESc1c[nH]c(CNc2cccnc2N2CCCC2)c1
InChIInChI=1S/C14H18N4/c1-2-10-18(9-1)14-13(6-4-8-16-14)17-11-12-5-3-7-15-12/h3-8,15,17H,1-2,9-11H2
InChIKeyNBJHXHJZEBCUHQ-UHFFFAOYSA-N
XLogP2.62
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine (CID 55060167) is 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine is c1c[nH]c(CNc2cccnc2N2CCCC2)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine?
The InChIKey is NBJHXHJZEBCUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-10-18(9-1)14-13(6-4-8-16-14)17-11-12-5-3-7-15-12/h3-8,15,17H,1-2,9-11H2.
What are the key properties of 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine?
2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 55060167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).