2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile

C11H15N3 — CID 43273063

IUPAC2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
SMILESCCC(C)N(C)c1cc(C#N)ccn1
InChIInChI=1S/C11H15N3/c1-4-9(2)14(3)11-7-10(8-12)5-6-13-11/h5-7,9H,4H2,1-3H3
InChIKeyOXBWANMVZAECDD-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.19
Rot. Bonds3

About 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile

2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile (PubChem CID 43273063) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
PubChem CID43273063
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile
SMILESCCC(C)N(C)c1cc(C#N)ccn1
InChIInChI=1S/C11H15N3/c1-4-9(2)14(3)11-7-10(8-12)5-6-13-11/h5-7,9H,4H2,1-3H3
InChIKeyOXBWANMVZAECDD-UHFFFAOYSA-N
XLogP2.19
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
CID 55004808
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile
CID 65485931
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
(2S)-N-(4-cyano-2-pyridinyl)-N,2-dimethylhexanamide
CID 124874127
2-(2-methylbutylsulfanyl)pyridine-4-carbonitrile
CID 103747842
2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 61442767
N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine
CID 62279317
2-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carbonitrile
CID 79858347
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 79390747
N-butyl-N-(4-cyano-2-pyridinyl)formamide
CID 144779744
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile (CID 43273063) is 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile is CCC(C)N(C)c1cc(C#N)ccn1.
What is the InChIKey of 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile?
The InChIKey is OXBWANMVZAECDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-9(2)14(3)11-7-10(8-12)5-6-13-11/h5-7,9H,4H2,1-3H3.
What are the key properties of 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile?
2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 43273063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).