6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide

C20H14ClN3O2 — CID 87680363

IUPAC6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)nc4)c3)nc2c1
InChIInChI=1S/C20H14ClN3O2/c1-12-5-7-17-16(9-12)24-20(26-17)13-3-2-4-15(10-13)23-19(25)14-6-8-18(21)22-11-14/h2-11H,1H3,(H,23,25)
InChIKeyLSURPEFGYHSNNR-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.10
Rot. Bonds3

About 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide

6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 87680363) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID87680363
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)nc4)c3)nc2c1
InChIInChI=1S/C20H14ClN3O2/c1-12-5-7-17-16(9-12)24-20(26-17)13-3-2-4-15(10-13)23-19(25)14-6-8-18(21)22-11-14/h2-11H,1H3,(H,23,25)
InChIKeyLSURPEFGYHSNNR-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 696909
2,3-dichloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2282158
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3,4-dimethylbenzamide
CID 1116351
4-heptoxy-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3126596
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 881581
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
2-chloro-4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23771066
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240
3,4-dimethoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1114227
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23761603
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 3095595

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (CID 87680363) is 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)nc4)c3)nc2c1.
What is the InChIKey of 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is LSURPEFGYHSNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-12-5-7-17-16(9-12)24-20(26-17)13-3-2-4-15(10-13)23-19(25)14-6-8-18(21)22-11-14/h2-11H,1H3,(H,23,25).
What are the key properties of 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87680363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).