N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine

C14H17N3O — CID 51051694

IUPACN-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine
SMILESCC(CNCc1ccncc1)Oc1ccccn1
InChIInChI=1S/C14H17N3O/c1-12(18-14-4-2-3-7-17-14)10-16-11-13-5-8-15-9-6-13/h2-9,12,16H,10-11H2,1H3
InChIKeyQOADGHVCSCRBNU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.03
Rot. Bonds6

About N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine

N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine (PubChem CID 51051694) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine
PubChem CID51051694
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine
SMILESCC(CNCc1ccncc1)Oc1ccccn1
InChIInChI=1S/C14H17N3O/c1-12(18-14-4-2-3-7-17-14)10-16-11-13-5-8-15-9-6-13/h2-9,12,16H,10-11H2,1H3
InChIKeyQOADGHVCSCRBNU-UHFFFAOYSA-N
XLogP2.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine (CID 51051694) is N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine is CC(CNCc1ccncc1)Oc1ccccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine?
The InChIKey is QOADGHVCSCRBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-12(18-14-4-2-3-7-17-14)10-16-11-13-5-8-15-9-6-13/h2-9,12,16H,10-11H2,1H3.
What are the key properties of N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine?
N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 51051694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).