2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile

C14H19N3O — CID 65122274

IUPAC2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2(O)CCCCCC2)c1
InChIInChI=1S/C14H19N3O/c15-10-12-5-8-16-13(9-12)17-11-14(18)6-3-1-2-4-7-14/h5,8-9,18H,1-4,6-7,11H2,(H,16,17)
InChIKeyCVLDXTPZEMREPU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds3

About 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile

2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile (PubChem CID 65122274) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
PubChem CID65122274
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2(O)CCCCCC2)c1
InChIInChI=1S/C14H19N3O/c15-10-12-5-8-16-13(9-12)17-11-14(18)6-3-1-2-4-7-14/h5,8-9,18H,1-4,6-7,11H2,(H,16,17)
InChIKeyCVLDXTPZEMREPU-UHFFFAOYSA-N
XLogP2.45
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115695376
1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 66330056
2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 83076259
3-amino-4-[(1-hydroxycycloheptyl)methylamino]benzonitrile
CID 65122900
3-chloro-4-[(1-hydroxycyclohexyl)methylamino]benzonitrile
CID 65110580
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 65110472
1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 115417098
6-[(1-hydroxycyclopentyl)methylamino]pyridine-2-carbonitrile
CID 65110570
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile
CID 61210617
1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 103911762

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile (CID 65122274) is 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCC2(O)CCCCCC2)c1.
What is the InChIKey of 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is CVLDXTPZEMREPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-12-5-8-16-13(9-12)17-11-14(18)6-3-1-2-4-7-14/h5,8-9,18H,1-4,6-7,11H2,(H,16,17).
What are the key properties of 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile?
2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 65122274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).