N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide

C20H15N3O3 — CID 6472613

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C20H15N3O3/c1-25-17-9-8-13(20-23-15-6-2-3-7-18(15)26-20)11-16(17)22-19(24)14-5-4-10-21-12-14/h2-12H,1H3,(H,22,24)
InChIKeyJWVAINAPEINUCK-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.15
Rot. Bonds4

About N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 6472613) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID6472613
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C20H15N3O3/c1-25-17-9-8-13(20-23-15-6-2-3-7-18(15)26-20)11-16(17)22-19(24)14-5-4-10-21-12-14/h2-12H,1H3,(H,22,24)
InChIKeyJWVAINAPEINUCK-UHFFFAOYSA-N
XLogP4.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide (CID 6472613) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is JWVAINAPEINUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-17-9-8-13(20-23-15-6-2-3-7-18(15)26-20)11-16(17)22-19(24)14-5-4-10-21-12-14/h2-12H,1H3,(H,22,24).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 6472613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).