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

C20H14ClN3O2 — CID 3161338

IUPACN-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)oc2c1
InChIInChI=1S/C20H14ClN3O2/c1-12-4-7-16-18(9-12)26-20(24-16)13-5-6-15(21)17(10-13)23-19(25)14-3-2-8-22-11-14/h2-11H,1H3,(H,23,25)
InChIKeyZCJXQJPKWIKDCB-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.10
Rot. Bonds3

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

N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 3161338) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID3161338
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC NameN-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)oc2c1
InChIInChI=1S/C20H14ClN3O2/c1-12-4-7-16-18(9-12)26-20(24-16)13-5-6-15(21)17(10-13)23-19(25)14-3-2-8-22-11-14/h2-11H,1H3,(H,23,25)
InChIKeyZCJXQJPKWIKDCB-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide (CID 3161338) is N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)oc2c1.
What is the InChIKey of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZCJXQJPKWIKDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-12-4-7-16-18(9-12)26-20(24-16)13-5-6-15(21)17(10-13)23-19(25)14-3-2-8-22-11-14/h2-11H,1H3,(H,23,25).
What are the key properties of N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide?
N-[2-chloro-5-(6-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 N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3161338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).