5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile

C11H13N3 — CID 126990921

IUPAC5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile
SMILESCc1cnc(C#N)cc1NC1CC1C
InChIInChI=1S/C11H13N3/c1-7-3-10(7)14-11-4-9(5-12)13-6-8(11)2/h4,6-7,10H,3H2,1-2H3,(H,13,14)
InChIKeyIZKLOKYJSPAFLF-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.08
Rot. Bonds2

About 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile

5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile (PubChem CID 126990921) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile
PubChem CID126990921
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile
SMILESCc1cnc(C#N)cc1NC1CC1C
InChIInChI=1S/C11H13N3/c1-7-3-10(7)14-11-4-9(5-12)13-6-8(11)2/h4,6-7,10H,3H2,1-2H3,(H,13,14)
InChIKeyIZKLOKYJSPAFLF-UHFFFAOYSA-N
XLogP2.08
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile (CID 126990921) is 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile is Cc1cnc(C#N)cc1NC1CC1C.
What is the InChIKey of 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile?
The InChIKey is IZKLOKYJSPAFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-3-10(7)14-11-4-9(5-12)13-6-8(11)2/h4,6-7,10H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile?
5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methylcyclopropyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 126990921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).