2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile

C12H17N3O — CID 62519572

IUPAC2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile
SMILESCCC(CC)(CO)Nc1ncccc1C#N
InChIInChI=1S/C12H17N3O/c1-3-12(4-2,9-16)15-11-10(8-13)6-5-7-14-11/h5-7,16H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyBOCJAIFTKSAVOO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.92
Rot. Bonds5

About 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile

2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile (PubChem CID 62519572) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile
PubChem CID62519572
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile
SMILESCCC(CC)(CO)Nc1ncccc1C#N
InChIInChI=1S/C12H17N3O/c1-3-12(4-2,9-16)15-11-10(8-13)6-5-7-14-11/h5-7,16H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyBOCJAIFTKSAVOO-UHFFFAOYSA-N
XLogP1.92
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
3-[3-(hydroxymethyl)pentan-3-ylamino]pyridazine-4-carbonitrile
CID 80514362
2-[(3-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79792497
2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866027
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-6-methylpyridine-3-carbonitrile
CID 114010626
2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 114010653
2-ethyl-2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 112697194
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-[(3-cyano-2-pyridinyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798363
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile (CID 62519572) is 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile is CCC(CC)(CO)Nc1ncccc1C#N.
What is the InChIKey of 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile?
The InChIKey is BOCJAIFTKSAVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-12(4-2,9-16)15-11-10(8-13)6-5-7-14-11/h5-7,16H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile?
2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 62519572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).