2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile

C12H17N3O — CID 79390747

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCCN(CC(C)(C)O)c1cc(C#N)ccn1
InChIInChI=1S/C12H17N3O/c1-4-15(9-12(2,3)16)11-7-10(8-13)5-6-14-11/h5-7,16H,4,9H2,1-3H3
InChIKeyWPVJONVWIICCNG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.55
Rot. Bonds4

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile (PubChem CID 79390747) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
PubChem CID79390747
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
SMILESCCN(CC(C)(C)O)c1cc(C#N)ccn1
InChIInChI=1S/C12H17N3O/c1-4-15(9-12(2,3)16)11-7-10(8-13)5-6-14-11/h5-7,16H,4,9H2,1-3H3
InChIKeyWPVJONVWIICCNG-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

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Related Compounds

2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115
1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 79385487
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 115487766
2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 43273063
tert-butyl N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]carbamate
CID 121426940
1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 78995484
2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
CID 55004808
1-[ethyl-[2-(hydroxymethyl)-4-pyridinyl]amino]-2-methylpropan-2-ol
CID 79390496

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile (CID 79390747) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile is CCN(CC(C)(C)O)c1cc(C#N)ccn1.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
The InChIKey is WPVJONVWIICCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-15(9-12(2,3)16)11-7-10(8-13)5-6-14-11/h5-7,16H,4,9H2,1-3H3.
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-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 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 79390747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).