5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile

C11H13N3O — CID 115487752

IUPAC5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCC2CC(O)C2)cn1
InChIInChI=1S/C11H13N3O/c12-5-9-1-2-10(7-14-9)13-6-8-3-11(15)4-8/h1-2,7-8,11,13,15H,3-4,6H2
InChIKeyJVIIOXRCDAPLCK-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.14
Rot. Bonds3

About 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile

5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile (PubChem CID 115487752) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
PubChem CID115487752
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCC2CC(O)C2)cn1
InChIInChI=1S/C11H13N3O/c12-5-9-1-2-10(7-14-9)13-6-8-3-11(15)4-8/h1-2,7-8,11,13,15H,3-4,6H2
InChIKeyJVIIOXRCDAPLCK-UHFFFAOYSA-N
XLogP1.14
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 113320652
3-[(4-fluoroanilino)methyl]cyclobutan-1-ol
CID 126794071
4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile
CID 106129313
5-[[(6-cyano-3-pyridinyl)amino]methyl]oxolane-2-carboxylic acid
CID 113320504
3-[(3-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 66005273
5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile
CID 103736388
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316
5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103837573
5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)pyridine-2-carbonitrile
CID 133351946
2-[2-amino-5-[(3-hydroxycyclobutyl)methylamino]phenyl]acetonitrile
CID 102624464

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile (CID 115487752) is 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCC2CC(O)C2)cn1.
What is the InChIKey of 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is JVIIOXRCDAPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-5-9-1-2-10(7-14-9)13-6-8-3-11(15)4-8/h1-2,7-8,11,13,15H,3-4,6H2.
What are the key properties of 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile?
5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).