4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile

C14H16N4S — CID 124616324

IUPAC4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC[C@@H](C)c2nccs2)n1
InChIInChI=1S/C14H16N4S/c1-9-6-11(3)18-13(12(9)7-15)17-8-10(2)14-16-4-5-19-14/h4-6,10H,8H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeySDLVUXFCRRBJMK-SNVBAGLBSA-N
MW272.38 g/mol
LogP3.24
Rot. Bonds4

About 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile

4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile (PubChem CID 124616324) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
PubChem CID124616324
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC[C@@H](C)c2nccs2)n1
InChIInChI=1S/C14H16N4S/c1-9-6-11(3)18-13(12(9)7-15)17-8-10(2)14-16-4-5-19-14/h4-6,10H,8H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeySDLVUXFCRRBJMK-SNVBAGLBSA-N
XLogP3.24
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-[[(2S)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616325
4,6-dimethyl-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63612589
6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile
CID 104577151
5,6-dimethyl-3-[2-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 104577322
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
4,6-dimethyl-2-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 78966758
2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104577235
3-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzonitrile
CID 114127699
2-fluoro-6-[2-(1,3-thiazol-2-yl)propylamino]benzonitrile
CID 104577319
2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66177763
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 55026390
2-[[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 124670806

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile (CID 124616324) is 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NC[C@@H](C)c2nccs2)n1.
What is the InChIKey of 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile?
The InChIKey is SDLVUXFCRRBJMK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-6-11(3)18-13(12(9)7-15)17-8-10(2)14-16-4-5-19-14/h4-6,10H,8H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile has a molecular weight of 272.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 124616324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).