N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C22H18FN5O3 — CID 166108598

IUPACN-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2ccc(N)nc2)ccc1NC(=O)c1c(-c2ccc(F)cc2)noc1C
InChIInChI=1S/C22H18FN5O3/c1-12-19(20(28-31-12)13-3-6-15(23)7-4-13)21(29)26-17-9-8-16(27-22(17)30-2)14-5-10-18(24)25-11-14/h3-11H,1-2H3,(H2,24,25)(H,26,29)
InChIKeyKYYJPPXHRVCLSF-UHFFFAOYSA-N
MW419.42 g/mol
LogP4.09
Rot. Bonds5

About N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 166108598) has the molecular formula C22H18FN5O3 and a molecular weight of 419.42 g/mol. Its IUPAC name is N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID166108598
Molecular FormulaC22H18FN5O3
Molecular Weight419.42 g/mol
Exact Mass419.14
IUPAC NameN-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1nc(-c2ccc(N)nc2)ccc1NC(=O)c1c(-c2ccc(F)cc2)noc1C
InChIInChI=1S/C22H18FN5O3/c1-12-19(20(28-31-12)13-3-6-15(23)7-4-13)21(29)26-17-9-8-16(27-22(17)30-2)14-5-10-18(24)25-11-14/h3-11H,1-2H3,(H2,24,25)(H,26,29)
InChIKeyKYYJPPXHRVCLSF-UHFFFAOYSA-N
XLogP4.09
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 166108598) is N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1nc(-c2ccc(N)nc2)ccc1NC(=O)c1c(-c2ccc(F)cc2)noc1C.
What is the InChIKey of N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KYYJPPXHRVCLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3/c1-12-19(20(28-31-12)13-3-6-15(23)7-4-13)21(29)26-17-9-8-16(27-22(17)30-2)14-5-10-18(24)25-11-14/h3-11H,1-2H3,(H2,24,25)(H,26,29).
What are the key properties of N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).