N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

C16H13ClN4O3 — CID 97248433

IUPACN-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1
InChIInChI=1S/C16H13ClN4O3/c1-9-12(6-7-13(22)19-9)16(23)20-14(15-18-8-24-21-15)10-2-4-11(17)5-3-10/h2-8,14H,1H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyXXLOHBQGPCFFPX-CQSZACIVSA-N
MW344.76 g/mol
LogP2.24
Rot. Bonds4

About N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 97248433) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID97248433
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC NameN-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1
InChIInChI=1S/C16H13ClN4O3/c1-9-12(6-7-13(22)19-9)16(23)20-14(15-18-8-24-21-15)10-2-4-11(17)5-3-10/h2-8,14H,1H3,(H,19,22)(H,20,23)/t14-/m1/s1
InChIKeyXXLOHBQGPCFFPX-CQSZACIVSA-N
XLogP2.24
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 97248433) is N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)ccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XXLOHBQGPCFFPX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c1-9-12(6-7-13(22)19-9)16(23)20-14(15-18-8-24-21-15)10-2-4-11(17)5-3-10/h2-8,14H,1H3,(H,19,22)(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 344.76 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97248433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).