N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine

C14H18N4O — CID 55066564

IUPACN-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine
SMILESc1cnc(-n2cccn2)c(NCC2CCOCC2)c1
InChIInChI=1S/C14H18N4O/c1-3-13(16-11-12-4-9-19-10-5-12)14(15-6-1)18-8-2-7-17-18/h1-3,6-8,12,16H,4-5,9-11H2
InChIKeyBTDZSCXBKZVIOL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.11
Rot. Bonds4

About N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine

N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine (PubChem CID 55066564) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine
PubChem CID55066564
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine
SMILESc1cnc(-n2cccn2)c(NCC2CCOCC2)c1
InChIInChI=1S/C14H18N4O/c1-3-13(16-11-12-4-9-19-10-5-12)14(15-6-1)18-8-2-7-17-18/h1-3,6-8,12,16H,4-5,9-11H2
InChIKeyBTDZSCXBKZVIOL-UHFFFAOYSA-N
XLogP2.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine (CID 55066564) is N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine is c1cnc(-n2cccn2)c(NCC2CCOCC2)c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine?
The InChIKey is BTDZSCXBKZVIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-13(16-11-12-4-9-19-10-5-12)14(15-6-1)18-8-2-7-17-18/h1-3,6-8,12,16H,4-5,9-11H2.
What are the key properties of N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine?
N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 55066564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).