N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide

C21H21N3O5S — CID 42629932

IUPACN-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)S(=O)(=O)C2CC2)cn1
InChIInChI=1S/C21H21N3O5S/c1-14-18(20(23-29-14)15-6-4-3-5-7-15)13-28-19-11-8-16(12-22-19)21(25)24(2)30(26,27)17-9-10-17/h3-8,11-12,17H,9-10,13H2,1-2H3
InChIKeyZRNZCYYJCCIJJN-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.19
Rot. Bonds7

About N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide

N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (PubChem CID 42629932) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
PubChem CID42629932
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)S(=O)(=O)C2CC2)cn1
InChIInChI=1S/C21H21N3O5S/c1-14-18(20(23-29-14)15-6-4-3-5-7-15)13-28-19-11-8-16(12-22-19)21(25)24(2)30(26,27)17-9-10-17/h3-8,11-12,17H,9-10,13H2,1-2H3
InChIKeyZRNZCYYJCCIJJN-UHFFFAOYSA-N
XLogP3.19
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide (CID 42629932) is N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)S(=O)(=O)C2CC2)cn1.
What is the InChIKey of N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is ZRNZCYYJCCIJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-14-18(20(23-29-14)15-6-4-3-5-7-15)13-28-19-11-8-16(12-22-19)21(25)24(2)30(26,27)17-9-10-17/h3-8,11-12,17H,9-10,13H2,1-2H3.
What are the key properties of N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide?
N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-N-methyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 42629932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).