2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile

C13H17N3O — CID 104576829

IUPAC2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOC1CC(Nc2nc(C)cc(C)c2C#N)C1
InChIInChI=1S/C13H17N3O/c1-8-4-9(2)15-13(12(8)7-14)16-10-5-11(6-10)17-3/h4,10-11H,5-6H2,1-3H3,(H,15,16)
InChIKeyBDMPWCOOQJTLKV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds3

About 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile

2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 104576829) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID104576829
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOC1CC(Nc2nc(C)cc(C)c2C#N)C1
InChIInChI=1S/C13H17N3O/c1-8-4-9(2)15-13(12(8)7-14)16-10-5-11(6-10)17-3/h4,10-11H,5-6H2,1-3H3,(H,15,16)
InChIKeyBDMPWCOOQJTLKV-UHFFFAOYSA-N
XLogP2.16
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile (CID 104576829) is 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile is COC1CC(Nc2nc(C)cc(C)c2C#N)C1.
What is the InChIKey of 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is BDMPWCOOQJTLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-4-9(2)15-13(12(8)7-14)16-10-5-11(6-10)17-3/h4,10-11H,5-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclobutyl)amino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 104576829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).