6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

C20H22N6 — CID 56949105

IUPAC6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)C4)c3)n2)c1
InChIInChI=1S/C20H22N6/c1-14-5-8-22-19(11-14)25-18-4-2-3-17(24-18)15-6-9-23-20(12-15)26-10-7-16(21)13-26/h2-6,8-9,11-12,16H,7,10,13,21H2,1H3,(H,22,24,25)
InChIKeyRCLMZKWNYLHBCI-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.13
Rot. Bonds4

About 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 56949105) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID56949105
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)C4)c3)n2)c1
InChIInChI=1S/C20H22N6/c1-14-5-8-22-19(11-14)25-18-4-2-3-17(24-18)15-6-9-23-20(12-15)26-10-7-16(21)13-26/h2-6,8-9,11-12,16H,7,10,13,21H2,1H3,(H,22,24,25)
InChIKeyRCLMZKWNYLHBCI-UHFFFAOYSA-N
XLogP3.13
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (CID 56949105) is 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is Cc1ccnc(Nc2cccc(-c3ccnc(N4CCC(N)C4)c3)n2)c1.
What is the InChIKey of 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is RCLMZKWNYLHBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-14-5-8-22-19(11-14)25-18-4-2-3-17(24-18)15-6-9-23-20(12-15)26-10-7-16(21)13-26/h2-6,8-9,11-12,16H,7,10,13,21H2,1H3,(H,22,24,25).
What are the key properties of 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 346.44 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-aminopyrrolidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 56949105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).