2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile

C11H13N3 — CID 115765447

IUPAC2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile
SMILESCC1(Nc2ncccc2C#N)CCC1
InChIInChI=1S/C11H13N3/c1-11(5-3-6-11)14-10-9(8-12)4-2-7-13-10/h2,4,7H,3,5-6H2,1H3,(H,13,14)
InChIKeySSLJMEHUJQJDQY-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.31
Rot. Bonds2

About 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile

2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile (PubChem CID 115765447) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile
PubChem CID115765447
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile
SMILESCC1(Nc2ncccc2C#N)CCC1
InChIInChI=1S/C11H13N3/c1-11(5-3-6-11)14-10-9(8-12)4-2-7-13-10/h2,4,7H,3,5-6H2,1H3,(H,13,14)
InChIKeySSLJMEHUJQJDQY-UHFFFAOYSA-N
XLogP2.31
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylcyclohexyl)amino]pyridazine-4-carbonitrile
CID 80509595
1-[(3-cyano-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 61289720
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
3-chloro-2-[(4-methyloxan-4-yl)amino]pyridine-4-carbonitrile
CID 107058450
2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carbonitrile
CID 30690579
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
3-bromo-4-methyl-N-(1-methylcyclobutyl)pyridin-2-amine
CID 106875940
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
CID 62301831
2-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-3-carbonitrile
CID 62519572
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile (CID 115765447) is 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile is CC1(Nc2ncccc2C#N)CCC1.
What is the InChIKey of 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile?
The InChIKey is SSLJMEHUJQJDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-11(5-3-6-11)14-10-9(8-12)4-2-7-13-10/h2,4,7H,3,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile?
2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclobutyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 115765447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).