N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide

C16H18ClN3O — CID 109239296

IUPACN-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN3O/c1-16(2,3)20-15(21)11-8-14(10-18-9-11)19-13-6-4-12(17)5-7-13/h4-10,19H,1-3H3,(H,20,21)
InChIKeyJTAZFMWBGWCHBM-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.01
Rot. Bonds3

About N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide

N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide (PubChem CID 109239296) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
PubChem CID109239296
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN3O/c1-16(2,3)20-15(21)11-8-14(10-18-9-11)19-13-6-4-12(17)5-7-13/h4-10,19H,1-3H3,(H,20,21)
InChIKeyJTAZFMWBGWCHBM-UHFFFAOYSA-N
XLogP4.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromoanilino)-N-tert-butylpyridine-3-carboxamide
CID 109239305
N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
CID 109239372
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
N-tert-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109239319
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109234047
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242174
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide (CID 109239296) is N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide?
The InChIKey is JTAZFMWBGWCHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-16(2,3)20-15(21)11-8-14(10-18-9-11)19-13-6-4-12(17)5-7-13/h4-10,19H,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide?
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109239296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).