5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile

C12H17N3O — CID 115487766

IUPAC5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
SMILESCCN(CC(C)(C)O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O/c1-4-15(9-12(2,3)16)11-6-5-10(7-13)14-8-11/h5-6,8,16H,4,9H2,1-3H3
InChIKeyCHMMHGVUFLOBDR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.55
Rot. Bonds4

About 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile

5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile (PubChem CID 115487766) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
PubChem CID115487766
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
SMILESCCN(CC(C)(C)O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O/c1-4-15(9-12(2,3)16)11-6-5-10(7-13)14-8-11/h5-6,8,16H,4,9H2,1-3H3
InChIKeyCHMMHGVUFLOBDR-UHFFFAOYSA-N
XLogP1.55
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[ethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 79838651
methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
CID 115487597
5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 115490478
5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile
CID 133370048
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 79390747
1-[N-ethyl-4-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387446
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
1-[N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79387539
5-[bis(trimethylsilyl)amino]pyridine-2-carbonitrile
CID 66606827
1-[ethyl-[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 79390496
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile (CID 115487766) is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile is CCN(CC(C)(C)O)c1ccc(C#N)nc1.
What is the InChIKey of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
The InChIKey is CHMMHGVUFLOBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-15(9-12(2,3)16)11-6-5-10(7-13)14-8-11/h5-6,8,16H,4,9H2,1-3H3.
What are the key properties of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile?
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).