4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile

C13H20N4 — CID 113285617

IUPAC4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
SMILESCC(C)C(N)CCN(C)c1ccnc(C#N)c1
InChIInChI=1S/C13H20N4/c1-10(2)13(15)5-7-17(3)12-4-6-16-11(8-12)9-14/h4,6,8,10,13H,5,7,15H2,1-3H3
InChIKeyKMYPOPKMWQWBID-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.76
Rot. Bonds5

About 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile

4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile (PubChem CID 113285617) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
PubChem CID113285617
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
SMILESCC(C)C(N)CCN(C)c1ccnc(C#N)c1
InChIInChI=1S/C13H20N4/c1-10(2)13(15)5-7-17(3)12-4-6-16-11(8-12)9-14/h4,6,8,10,13H,5,7,15H2,1-3H3
InChIKeyKMYPOPKMWQWBID-UHFFFAOYSA-N
XLogP1.76
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile (CID 113285617) is 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile is CC(C)C(N)CCN(C)c1ccnc(C#N)c1.
What is the InChIKey of 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile?
The InChIKey is KMYPOPKMWQWBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(2)13(15)5-7-17(3)12-4-6-16-11(8-12)9-14/h4,6,8,10,13H,5,7,15H2,1-3H3.
What are the key properties of 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile?
4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 113285617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).