4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile

C12H16N4 — CID 62979748

IUPAC4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
SMILESCN(CCNc1ccnc(C#N)c1)C1CC1
InChIInChI=1S/C12H16N4/c1-16(12-2-3-12)7-6-15-10-4-5-14-11(8-10)9-13/h4-5,8,12H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyZNROKABTCKZNCZ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.46
Rot. Bonds5

About 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile

4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile (PubChem CID 62979748) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
PubChem CID62979748
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
SMILESCN(CCNc1ccnc(C#N)c1)C1CC1
InChIInChI=1S/C12H16N4/c1-16(12-2-3-12)7-6-15-10-4-5-14-11(8-10)9-13/h4-5,8,12H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyZNROKABTCKZNCZ-UHFFFAOYSA-N
XLogP1.46
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile (CID 62979748) is 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile is CN(CCNc1ccnc(C#N)c1)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile?
The InChIKey is ZNROKABTCKZNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16(12-2-3-12)7-6-15-10-4-5-14-11(8-10)9-13/h4-5,8,12H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile?
4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 62979748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).