N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine

C22H17FN4O — CID 66653034

IUPACN-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(Nc2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1
InChIInChI=1S/C22H17FN4O/c1-28-22-7-6-17(14-26-22)27-18-10-16(12-24-13-18)15-8-9-25-21(11-15)19-4-2-3-5-20(19)23/h2-14,27H,1H3
InChIKeyWBIMMORDKVQNMA-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.10
Rot. Bonds5

About N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine

N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine (PubChem CID 66653034) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine
PubChem CID66653034
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC NameN-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(Nc2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1
InChIInChI=1S/C22H17FN4O/c1-28-22-7-6-17(14-26-22)27-18-10-16(12-24-13-18)15-8-9-25-21(11-15)19-4-2-3-5-20(19)23/h2-14,27H,1H3
InChIKeyWBIMMORDKVQNMA-UHFFFAOYSA-N
XLogP5.10
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine (CID 66653034) is N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine is COc1ccc(Nc2cncc(-c3ccnc(-c4ccccc4F)c3)c2)cn1.
What is the InChIKey of N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine?
The InChIKey is WBIMMORDKVQNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-28-22-7-6-17(14-26-22)27-18-10-16(12-24-13-18)15-8-9-25-21(11-15)19-4-2-3-5-20(19)23/h2-14,27H,1H3.
What are the key properties of N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine?
N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine has a molecular weight of 372.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 66653034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).