6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile

C12H16N4 — CID 66214140

IUPAC6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile
SMILESCCCN(c1ccc(C#N)cn1)C1CNC1
InChIInChI=1S/C12H16N4/c1-2-5-16(11-8-14-9-11)12-4-3-10(6-13)7-15-12/h3-4,7,11,14H,2,5,8-9H2,1H3
InChIKeyFURMKQYVSOOCSJ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.14
Rot. Bonds4

About 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile

6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile (PubChem CID 66214140) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile
PubChem CID66214140
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile
SMILESCCCN(c1ccc(C#N)cn1)C1CNC1
InChIInChI=1S/C12H16N4/c1-2-5-16(11-8-14-9-11)12-4-3-10(6-13)7-15-12/h3-4,7,11,14H,2,5,8-9H2,1H3
InChIKeyFURMKQYVSOOCSJ-UHFFFAOYSA-N
XLogP1.14
TPSA51.95 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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304263
6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile
CID 68862540
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
5-[azetidin-3-yl(ethyl)amino]pyrazine-2-carbonitrile
CID 66183690
6-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719387
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66214933
6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
CID 60706429
N-(azetidin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 66214743
5-[azetidin-3-yl(ethyl)amino]pyridine-2-carbonitrile
CID 115490430
5-(aminomethyl)-N-cyclopropyl-N-propylpyridin-2-amine
CID 43269938
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772

Frequently Asked Questions

What is the IUPAC name of 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile (CID 66214140) is 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile is CCCN(c1ccc(C#N)cn1)C1CNC1.
What is the InChIKey of 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile?
The InChIKey is FURMKQYVSOOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-5-16(11-8-14-9-11)12-4-3-10(6-13)7-15-12/h3-4,7,11,14H,2,5,8-9H2,1H3.
What are the key properties of 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile?
6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 66214140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).