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

C15H17Cl2N3O — CID 64601599

IUPACN-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Oc2cncc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3O/c1-10(2)5-18-6-11-3-14(17)15(20-7-11)21-13-4-12(16)8-19-9-13/h3-4,7-10,18H,5-6H2,1-2H3
InChIKeyUHPGGWWXQPQXKT-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.32
Rot. Bonds6

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

N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 64601599) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID64601599
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(Oc2cncc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3O/c1-10(2)5-18-6-11-3-14(17)15(20-7-11)21-13-4-12(16)8-19-9-13/h3-4,7-10,18H,5-6H2,1-2H3
InChIKeyUHPGGWWXQPQXKT-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-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391526
N-[(5-chloro-6-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63487951
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106597985
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601790
N-[[3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64600643
N-[[5-chloro-6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292007
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601212
N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 81155490
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 64600076
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 64601599) is N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(Oc2cncc(Cl)c2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is UHPGGWWXQPQXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-10(2)5-18-6-11-3-14(17)15(20-7-11)21-13-4-12(16)8-19-9-13/h3-4,7-10,18H,5-6H2,1-2H3.
What are the key properties of N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-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-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64601599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).