N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine

C15H18ClN3O — CID 64602361

IUPACN-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Oc2cncc(Cl)c2)ccn1
InChIInChI=1S/C15H18ClN3O/c1-15(2,3)19-9-12-7-13(4-5-18-12)20-14-6-11(16)8-17-10-14/h4-8,10,19H,9H2,1-3H3
InChIKeyLMPXCNBWOWBAIF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.81
Rot. Bonds4

About N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 64602361) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID64602361
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Oc2cncc(Cl)c2)ccn1
InChIInChI=1S/C15H18ClN3O/c1-15(2,3)19-9-12-7-13(4-5-18-12)20-14-6-11(16)8-17-10-14/h4-8,10,19H,9H2,1-3H3
InChIKeyLMPXCNBWOWBAIF-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 64602361) is N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(Oc2cncc(Cl)c2)ccn1.
What is the InChIKey of N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is LMPXCNBWOWBAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-15(2,3)19-9-12-7-13(4-5-18-12)20-14-6-11(16)8-17-10-14/h4-8,10,19H,9H2,1-3H3.
What are the key properties of N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.78 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64602361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).