N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine

C15H17Cl2N3O — CID 64600643

IUPACN-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(Oc2cncc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-10(2)6-18-9-14-13(17)3-4-15(20-14)21-12-5-11(16)7-19-8-12/h3-5,7-8,10,18H,6,9H2,1-2H3
InChIKeyFSAUDVHWRWHEBD-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.32
Rot. Bonds6

About N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 64600643) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID64600643
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(Oc2cncc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-10(2)6-18-9-14-13(17)3-4-15(20-14)21-12-5-11(16)7-19-8-12/h3-5,7-8,10,18H,6,9H2,1-2H3
InChIKeyFSAUDVHWRWHEBD-UHFFFAOYSA-N
XLogP4.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601212
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601599
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601790
N-[(3-chloro-6-heptoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63488450
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288591
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391526
N-[[6-(4-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450622
N-[[3-chloro-6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296834
N-[[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115942738
N-[[3-chloro-6-(cyclopentylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 66324406
N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 64600643) is N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(Oc2cncc(Cl)c2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FSAUDVHWRWHEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-10(2)6-18-9-14-13(17)3-4-15(20-14)21-12-5-11(16)7-19-8-12/h3-5,7-8,10,18H,6,9H2,1-2H3.
What are the key properties of N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 326.23 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64600643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).