6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide

C22H23ClN4O3 — CID 118418676

IUPAC6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(OCC3CC3)c(-c3ccc(Cl)cc3)n2)no1
InChIInChI=1S/C22H23ClN4O3/c1-13-24-21(27-30-13)22(2,3)26-20(28)17-10-11-18(29-12-14-4-5-14)19(25-17)15-6-8-16(23)9-7-15/h6-11,14H,4-5,12H2,1-3H3,(H,26,28)
InChIKeyAGOYUKUSDFTGNC-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.55
Rot. Bonds7

About 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide

6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 118418676) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID118418676
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(OCC3CC3)c(-c3ccc(Cl)cc3)n2)no1
InChIInChI=1S/C22H23ClN4O3/c1-13-24-21(27-30-13)22(2,3)26-20(28)17-10-11-18(29-12-14-4-5-14)19(25-17)15-6-8-16(23)9-7-15/h6-11,14H,4-5,12H2,1-3H3,(H,26,28)
InChIKeyAGOYUKUSDFTGNC-UHFFFAOYSA-N
XLogP4.55
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide (CID 118418676) is 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide is Cc1nc(C(C)(C)NC(=O)c2ccc(OCC3CC3)c(-c3ccc(Cl)cc3)n2)no1.
What is the InChIKey of 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is AGOYUKUSDFTGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-13-24-21(27-30-13)22(2,3)26-20(28)17-10-11-18(29-12-14-4-5-14)19(25-17)15-6-8-16(23)9-7-15/h6-11,14H,4-5,12H2,1-3H3,(H,26,28).
What are the key properties of 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide?
6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118418676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).