N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine

C15H24N4 — CID 79251355

IUPACN-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCNc1ccnc(CN2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C15H24N4/c1-16-13-4-6-17-14(10-13)11-18-9-5-15(12-18)19-7-2-3-8-19/h4,6,10,15H,2-3,5,7-9,11-12H2,1H3,(H,16,17)
InChIKeyQOKAHHCLYBFFBX-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine

N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine (PubChem CID 79251355) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine
PubChem CID79251355
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCNc1ccnc(CN2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C15H24N4/c1-16-13-4-6-17-14(10-13)11-18-9-5-15(12-18)19-7-2-3-8-19/h4,6,10,15H,2-3,5,7-9,11-12H2,1H3,(H,16,17)
InChIKeyQOKAHHCLYBFFBX-UHFFFAOYSA-N
XLogP1.79
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine (CID 79251355) is N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine is CNc1ccnc(CN2CCC(N3CCCC3)C2)c1.
What is the InChIKey of N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The InChIKey is QOKAHHCLYBFFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-16-13-4-6-17-14(10-13)11-18-9-5-15(12-18)19-7-2-3-8-19/h4,6,10,15H,2-3,5,7-9,11-12H2,1H3,(H,16,17).
What are the key properties of N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine?
N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79251355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).