3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile

C12H16N4 — CID 82816961

IUPAC3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile
SMILESCCCN(c1nccc(C#N)c1N)C1CC1
InChIInChI=1S/C12H16N4/c1-2-7-16(10-3-4-10)12-11(14)9(8-13)5-6-15-12/h5-6,10H,2-4,7,14H2,1H3
InChIKeyKMVWWUMZNORTMF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile

3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile (PubChem CID 82816961) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile
PubChem CID82816961
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile
SMILESCCCN(c1nccc(C#N)c1N)C1CC1
InChIInChI=1S/C12H16N4/c1-2-7-16(10-3-4-10)12-11(14)9(8-13)5-6-15-12/h5-6,10H,2-4,7,14H2,1H3
InChIKeyKMVWWUMZNORTMF-UHFFFAOYSA-N
XLogP1.91
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile (CID 82816961) is 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile is CCCN(c1nccc(C#N)c1N)C1CC1.
What is the InChIKey of 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile?
The InChIKey is KMVWWUMZNORTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-7-16(10-3-4-10)12-11(14)9(8-13)5-6-15-12/h5-6,10H,2-4,7,14H2,1H3.
What are the key properties of 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile?
3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82816961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).