4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile

C13H14N4O — CID 113413004

IUPAC4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cnc(C(C)Nc2nccc(C)c2C#N)o1
InChIInChI=1S/C13H14N4O/c1-8-4-5-15-12(11(8)6-14)17-10(3)13-16-7-9(2)18-13/h4-5,7,10H,1-3H3,(H,15,17)
InChIKeyHIDPOAOECFENSB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.73
Rot. Bonds3

About 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile

4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 113413004) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID113413004
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cnc(C(C)Nc2nccc(C)c2C#N)o1
InChIInChI=1S/C13H14N4O/c1-8-4-5-15-12(11(8)6-14)17-10(3)13-16-7-9(2)18-13/h4-5,7,10H,1-3H3,(H,15,17)
InChIKeyHIDPOAOECFENSB-UHFFFAOYSA-N
XLogP2.73
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbothioamide
CID 106388569
3-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazin-2-amine
CID 106388768
(2S)-2-[(3-cyano-4-methyl-2-pyridinyl)amino]propanoic acid
CID 122049397
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 103946676
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633
2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 114182305
4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 106544926
5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 104844331
N-[4-[(1S)-1-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 125137451
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 104920659
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 106544949
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile (CID 113413004) is 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile is Cc1cnc(C(C)Nc2nccc(C)c2C#N)o1.
What is the InChIKey of 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is HIDPOAOECFENSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-4-5-15-12(11(8)6-14)17-10(3)13-16-7-9(2)18-13/h4-5,7,10H,1-3H3,(H,15,17).
What are the key properties of 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile?
4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 242.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 113413004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).