5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine

C18H15ClFN3O — CID 66954781

IUPAC5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine
SMILESCOc1cnccc1-c1nc(NCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C18H15ClFN3O/c1-24-16-11-21-8-7-14(16)18-15(19)5-6-17(23-18)22-10-12-3-2-4-13(20)9-12/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyLBRKKLUMFDQLCJ-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.56
Rot. Bonds5

About 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine

5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine (PubChem CID 66954781) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine
PubChem CID66954781
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine
SMILESCOc1cnccc1-c1nc(NCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C18H15ClFN3O/c1-24-16-11-21-8-7-14(16)18-15(19)5-6-17(23-18)22-10-12-3-2-4-13(20)9-12/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyLBRKKLUMFDQLCJ-UHFFFAOYSA-N
XLogP4.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine (CID 66954781) is 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine is COc1cnccc1-c1nc(NCc2cccc(F)c2)ccc1Cl.
What is the InChIKey of 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine?
The InChIKey is LBRKKLUMFDQLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-24-16-11-21-8-7-14(16)18-15(19)5-6-17(23-18)22-10-12-3-2-4-13(20)9-12/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine?
5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine has a molecular weight of 343.79 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-fluorophenyl)methyl]-6-(3-methoxy-4-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 66954781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).