N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide

C16H17ClN2O — CID 60628052

IUPACN-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C16H17ClN2O/c1-16(2,3)12-8-4-5-9-13(12)19-15(20)11-7-6-10-18-14(11)17/h4-10H,1-3H3,(H,19,20)
InChIKeyWEXPDHMTSYOZBQ-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.28
Rot. Bonds2

About N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide

N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide (PubChem CID 60628052) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
PubChem CID60628052
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C16H17ClN2O/c1-16(2,3)12-8-4-5-9-13(12)19-15(20)11-7-6-10-18-14(11)17/h4-10H,1-3H3,(H,19,20)
InChIKeyWEXPDHMTSYOZBQ-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-tert-butyl-N-(3-chloropyrazin-2-yl)benzamide
CID 102989374
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997
2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
2-chloro-N-[2-(3-oxobutan-2-yloxy)phenyl]pyridine-3-carboxamide
CID 86612636

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide (CID 60628052) is N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cccnc1Cl.
What is the InChIKey of N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide?
The InChIKey is WEXPDHMTSYOZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-16(2,3)12-8-4-5-9-13(12)19-15(20)11-7-6-10-18-14(11)17/h4-10H,1-3H3,(H,19,20).
What are the key properties of N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide?
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 60628052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).