5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile

C12H17N3O — CID 60921731

IUPAC5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile
SMILESCC(C)CC(C)Oc1ncc(N)cc1C#N
InChIInChI=1S/C12H17N3O/c1-8(2)4-9(3)16-12-10(6-13)5-11(14)7-15-12/h5,7-9H,4,14H2,1-3H3
InChIKeyZYMVZQNNUNHHOO-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.35
Rot. Bonds4

About 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile

5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile (PubChem CID 60921731) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile
PubChem CID60921731
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile
SMILESCC(C)CC(C)Oc1ncc(N)cc1C#N
InChIInChI=1S/C12H17N3O/c1-8(2)4-9(3)16-12-10(6-13)5-11(14)7-15-12/h5,7-9H,4,14H2,1-3H3
InChIKeyZYMVZQNNUNHHOO-UHFFFAOYSA-N
XLogP2.35
TPSA71.93 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
CID 66276281
5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carboxamide
CID 61357443
2-(4-methylpentan-2-yloxy)pyrimidin-5-amine
CID 61147396
3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
CID 107058766
5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
CID 60923806
5-amino-2-phenoxypyridine-3-carbonitrile
CID 60923162
5-amino-2-butan-2-ylsulfanylpyridine-3-carbonitrile
CID 60923566
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide
CID 54989077
5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622
5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
CID 54861104
5-bromo-2-pentan-3-yloxypyridine-3-carbonitrile
CID 76848523

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile (CID 60921731) is 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile is CC(C)CC(C)Oc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile?
The InChIKey is ZYMVZQNNUNHHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)4-9(3)16-12-10(6-13)5-11(14)7-15-12/h5,7-9H,4,14H2,1-3H3.
What are the key properties of 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile?
5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carbonitrile is sourced from PubChem (CID 60921731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).