6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile

C10H13N3O — CID 51681205

IUPAC6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
SMILESCC[C@@H](CO)Nc1ccc(C#N)cn1
InChIInChI=1S/C10H13N3O/c1-2-9(7-14)13-10-4-3-8(5-11)6-12-10/h3-4,6,9,14H,2,7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyQZAZKGUMAAWNHG-VIFPVBQESA-N
MW191.23 g/mol
LogP1.14
Rot. Bonds4

About 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile

6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 51681205) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID51681205
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
SMILESCC[C@@H](CO)Nc1ccc(C#N)cn1
InChIInChI=1S/C10H13N3O/c1-2-9(7-14)13-10-4-3-8(5-11)6-12-10/h3-4,6,9,14H,2,7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyQZAZKGUMAAWNHG-VIFPVBQESA-N
XLogP1.14
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(hexan-3-ylamino)pyridine-3-carbonitrile
CID 62046801
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile
CID 122150706
2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
CID 82104378
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005
6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
CID 115659032
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile (CID 51681205) is 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile is CC[C@@H](CO)Nc1ccc(C#N)cn1.
What is the InChIKey of 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is QZAZKGUMAAWNHG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-9(7-14)13-10-4-3-8(5-11)6-12-10/h3-4,6,9,14H,2,7H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile?
6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 51681205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).