N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide

C15H13N3O2 — CID 110278958

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1nc2ccccc2o1
InChIInChI=1S/C15H13N3O2/c1-10(17-14(19)11-6-8-16-9-7-11)15-18-12-4-2-3-5-13(12)20-15/h2-10H,1H3,(H,17,19)
InChIKeyCSUPXMIGWKLUSY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds3

About N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 110278958) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID110278958
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1nc2ccccc2o1
InChIInChI=1S/C15H13N3O2/c1-10(17-14(19)11-6-8-16-9-7-11)15-18-12-4-2-3-5-13(12)20-15/h2-10H,1H3,(H,17,19)
InChIKeyCSUPXMIGWKLUSY-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide
CID 110278892
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
CID 110278975
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 110278979
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 110278731
N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
CID 110278943
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide
CID 110278666
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110278714
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-chloro-5-methylsulfanylbenzamide
CID 110278921
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxybenzamide
CID 9049434
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide
CID 110278878
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide
CID 110278744

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide (CID 110278958) is N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1nc2ccccc2o1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is CSUPXMIGWKLUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10(17-14(19)11-6-8-16-9-7-11)15-18-12-4-2-3-5-13(12)20-15/h2-10H,1H3,(H,17,19).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110278958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).