5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile

C12H15N3O — CID 103989784

IUPAC5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
SMILESCOC1(CNc2ccc(C#N)nc2)CCC1
InChIInChI=1S/C12H15N3O/c1-16-12(5-2-6-12)9-15-11-4-3-10(7-13)14-8-11/h3-4,8,15H,2,5-6,9H2,1H3
InChIKeyIQNMVVRHKOVNAZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds4

About 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile

5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile (PubChem CID 103989784) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
PubChem CID103989784
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
SMILESCOC1(CNc2ccc(C#N)nc2)CCC1
InChIInChI=1S/C12H15N3O/c1-16-12(5-2-6-12)9-15-11-4-3-10(7-13)14-8-11/h3-4,8,15H,2,5-6,9H2,1H3
InChIKeyIQNMVVRHKOVNAZ-UHFFFAOYSA-N
XLogP1.93
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile (CID 103989784) is 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile is COC1(CNc2ccc(C#N)nc2)CCC1.
What is the InChIKey of 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is IQNMVVRHKOVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-16-12(5-2-6-12)9-15-11-4-3-10(7-13)14-8-11/h3-4,8,15H,2,5-6,9H2,1H3.
What are the key properties of 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile?
5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103989784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).