2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile

C14H21N3O — CID 62519552

IUPAC2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCC(CC)(CO)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H21N3O/c1-5-14(6-2,9-18)17-13-12(8-15)10(3)7-11(4)16-13/h7,18H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyDNUVOPUQYBAHQI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds5

About 2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 62519552) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID62519552
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCC(CC)(CO)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H21N3O/c1-5-14(6-2,9-18)17-13-12(8-15)10(3)7-11(4)16-13/h7,18H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyDNUVOPUQYBAHQI-UHFFFAOYSA-N
XLogP2.53
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)pentan-3-ylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552017
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-6-methylpyridine-3-carbonitrile
CID 114010626
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 79249172
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 43428254
2-(2,3-dihydroxypropylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 66177763
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
CID 64670074
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]acetamide
CID 78911718
4,6-dimethyl-2-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 78966758
3-[3-(hydroxymethyl)pentan-3-ylamino]pyridazine-4-carbonitrile
CID 80514362
2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile
CID 62519572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 62519552) is 2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile is CCC(CC)(CO)Nc1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is DNUVOPUQYBAHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-5-14(6-2,9-18)17-13-12(8-15)10(3)7-11(4)16-13/h7,18H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[3-(hydroxymethyl)pentan-3-ylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 2.53, 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]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 62519552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).