3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide

C17H15ClN2O2 — CID 90579289

IUPAC3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
SMILESCc1ccc(OCC#CCNC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H15ClN2O2/c1-13-7-8-16(12-20-13)22-10-3-2-9-19-17(21)14-5-4-6-15(18)11-14/h4-8,11-12H,9-10H2,1H3,(H,19,21)
InChIKeyHLLRBLWGRQISMA-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.86
Rot. Bonds4

About 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide

3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide (PubChem CID 90579289) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
PubChem CID90579289
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
SMILESCc1ccc(OCC#CCNC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H15ClN2O2/c1-13-7-8-16(12-20-13)22-10-3-2-9-19-17(21)14-5-4-6-15(18)11-14/h4-8,11-12H,9-10H2,1H3,(H,19,21)
InChIKeyHLLRBLWGRQISMA-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90578880
1-(3-chlorophenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579458
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
CID 90579313
2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579264
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
CID 6498652
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide
CID 90579362
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide
CID 90579189
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-phenylpropanamide
CID 90579351
1-(2,3-dimethoxyphenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579478
3-bromo-N-(4-quinolin-7-yloxybut-2-ynyl)benzamide
CID 90580109
N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 111447845
2-(1,2-benzoxazol-3-yl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
CID 90579211

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide (CID 90579289) is 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide is Cc1ccc(OCC#CCNC(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide?
The InChIKey is HLLRBLWGRQISMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-13-7-8-16(12-20-13)22-10-3-2-9-19-17(21)14-5-4-6-15(18)11-14/h4-8,11-12H,9-10H2,1H3,(H,19,21).
What are the key properties of 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide?
3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide has a molecular weight of 314.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide is sourced from PubChem (CID 90579289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).