4-(butylamino)-6-methylpyridine-2-carbonitrile

C11H15N3 — CID 130678948

IUPAC4-(butylamino)-6-methylpyridine-2-carbonitrile
SMILESCCCCNc1cc(C)nc(C#N)c1
InChIInChI=1S/C11H15N3/c1-3-4-5-13-10-6-9(2)14-11(7-10)8-12/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyVRRQXDBHJVVUOJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.47
Rot. Bonds4

About 4-(butylamino)-6-methylpyridine-2-carbonitrile

4-(butylamino)-6-methylpyridine-2-carbonitrile (PubChem CID 130678948) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(butylamino)-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(butylamino)-6-methylpyridine-2-carbonitrile
PubChem CID130678948
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-(butylamino)-6-methylpyridine-2-carbonitrile
SMILESCCCCNc1cc(C)nc(C#N)c1
InChIInChI=1S/C11H15N3/c1-3-4-5-13-10-6-9(2)14-11(7-10)8-12/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyVRRQXDBHJVVUOJ-UHFFFAOYSA-N
XLogP2.47
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-N-pentadecylpyridin-4-amine
CID 173439602
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
N-butyl-2-fluoro-6-methylpyridin-4-amine;ethane
CID 172632232
N-(3-butoxypropyl)-2,6-dimethylpyridin-4-amine
CID 114272189
2,6-dimethyl-N-propylpyridin-4-amine
CID 126976609
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
2-butoxy-6-methylpyrimidine-4-carbonitrile
CID 107545811
2-(2,2-dimethylheptylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544876
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
6-methyl-2-pentoxypyrimidine-4-carbonitrile
CID 107545813

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(butylamino)-6-methylpyridine-2-carbonitrile (CID 130678948) is 4-(butylamino)-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(butylamino)-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(butylamino)-6-methylpyridine-2-carbonitrile is CCCCNc1cc(C)nc(C#N)c1.
What is the InChIKey of 4-(butylamino)-6-methylpyridine-2-carbonitrile?
The InChIKey is VRRQXDBHJVVUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-4-5-13-10-6-9(2)14-11(7-10)8-12/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(butylamino)-6-methylpyridine-2-carbonitrile?
4-(butylamino)-6-methylpyridine-2-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 130678948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).