3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile

C12H14ClN3O — CID 107058450

IUPAC3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile
SMILESCC1(Nc2nccc(C#N)c2Cl)CCOCC1
InChIInChI=1S/C12H14ClN3O/c1-12(3-6-17-7-4-12)16-11-10(13)9(8-14)2-5-15-11/h2,5H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyYHNJKKAXOHRGNT-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.59
Rot. Bonds2

About 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile

3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile (PubChem CID 107058450) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile
PubChem CID107058450
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile
SMILESCC1(Nc2nccc(C#N)c2Cl)CCOCC1
InChIInChI=1S/C12H14ClN3O/c1-12(3-6-17-7-4-12)16-11-10(13)9(8-14)2-5-15-11/h2,5H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyYHNJKKAXOHRGNT-UHFFFAOYSA-N
XLogP2.59
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile
CID 115765447
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 107061344
3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107058219
3-chloro-2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119318
3-[(1-methylcyclohexyl)amino]pyridazine-4-carbonitrile
CID 80509595
3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
CID 107056628
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587
3-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carbonitrile
CID 107057709
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile (CID 107058450) is 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile is CC1(Nc2nccc(C#N)c2Cl)CCOCC1.
What is the InChIKey of 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile?
The InChIKey is YHNJKKAXOHRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-12(3-6-17-7-4-12)16-11-10(13)9(8-14)2-5-15-11/h2,5H,3-4,6-7H2,1H3,(H,15,16).
What are the key properties of 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile?
3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile has a molecular weight of 251.72 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107058450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).