2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide

C16H15ClN2O3 — CID 86612636

IUPAC2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide
SMILESCC(=O)C(C)Oc1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-10(20)11(2)22-14-8-4-3-7-13(14)19-16(21)12-6-5-9-18-15(12)17/h3-9,11H,1-2H3,(H,19,21)
InChIKeyYCXLXQSVNSTMPB-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.34
Rot. Bonds5

About 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide

2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide (PubChem CID 86612636) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide
PubChem CID86612636
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide
SMILESCC(=O)C(C)Oc1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-10(20)11(2)22-14-8-4-3-7-13(14)19-16(21)12-6-5-9-18-15(12)17/h3-9,11H,1-2H3,(H,19,21)
InChIKeyYCXLXQSVNSTMPB-UHFFFAOYSA-N
XLogP3.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
2-chloro-N-[2-(2,2-difluoroethoxy)phenyl]pyridine-3-carboxamide
CID 86257016
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103752407
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
2-chloro-5-fluoro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103891998
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide (CID 86612636) is 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide is CC(=O)C(C)Oc1ccccc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide?
The InChIKey is YCXLXQSVNSTMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10(20)11(2)22-14-8-4-3-7-13(14)19-16(21)12-6-5-9-18-15(12)17/h3-9,11H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide?
2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86612636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).