N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide

C16H15N3O2 — CID 110791080

IUPACN-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide
SMILESCc1nc2ccc(CCNC(=O)c3ccncc3)cc2o1
InChIInChI=1S/C16H15N3O2/c1-11-19-14-3-2-12(10-15(14)21-11)4-9-18-16(20)13-5-7-17-8-6-13/h2-3,5-8,10H,4,9H2,1H3,(H,18,20)
InChIKeyAOMUROXKCVLPBM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide

N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide (PubChem CID 110791080) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide
PubChem CID110791080
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide
SMILESCc1nc2ccc(CCNC(=O)c3ccncc3)cc2o1
InChIInChI=1S/C16H15N3O2/c1-11-19-14-3-2-12(10-15(14)21-11)4-9-18-16(20)13-5-7-17-8-6-13/h2-3,5-8,10H,4,9H2,1H3,(H,18,20)
InChIKeyAOMUROXKCVLPBM-UHFFFAOYSA-N
XLogP2.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791108
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110787335
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
2-[(3,4-dimethoxyphenyl)methyl]-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 24790294
N-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 155967045
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide (CID 110791080) is N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide is Cc1nc2ccc(CCNC(=O)c3ccncc3)cc2o1.
What is the InChIKey of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is AOMUROXKCVLPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-19-14-3-2-12(10-15(14)21-11)4-9-18-16(20)13-5-7-17-8-6-13/h2-3,5-8,10H,4,9H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide?
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110791080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).