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

C19H18ClN3O2 — CID 71105564

IUPAC6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(C)c2ncco2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-7-8-15(22-16(12)13-5-4-6-14(20)11-13)17(24)23-19(2,3)18-21-9-10-25-18/h4-11H,1-3H3,(H,23,24)
InChIKeyBQYZFHUJUGUJIE-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.36
Rot. Bonds4

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

6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71105564) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71105564
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)(C)c2ncco2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-7-8-15(22-16(12)13-5-4-6-14(20)11-13)17(24)23-19(2,3)18-21-9-10-25-18/h4-11H,1-3H3,(H,23,24)
InChIKeyBQYZFHUJUGUJIE-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71105564) is 6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide is Cc1ccc(C(=O)NC(C)(C)c2ncco2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is BQYZFHUJUGUJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-7-8-15(22-16(12)13-5-4-6-14(20)11-13)17(24)23-19(2,3)18-21-9-10-25-18/h4-11H,1-3H3,(H,23,24).
What are the key properties of 6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-methyl-N-[2-(1,3-oxazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71105564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).