5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide

C18H22ClN3O — CID 109224849

IUPAC5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(Nc2cncc(C(=O)NCC(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-11(2)8-21-18(23)14-7-15(10-20-9-14)22-17-13(4)5-12(3)6-16(17)19/h5-7,9-11,22H,8H2,1-4H3,(H,21,23)
InChIKeyFNKJHJFHCCYXKC-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.48
Rot. Bonds5

About 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide

5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 109224849) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID109224849
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1cc(C)c(Nc2cncc(C(=O)NCC(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-11(2)8-21-18(23)14-7-15(10-20-9-14)22-17-13(4)5-12(3)6-16(17)19/h5-7,9-11,22H,8H2,1-4H3,(H,21,23)
InChIKeyFNKJHJFHCCYXKC-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102216
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227747
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202969
N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109223266
5-(2-chloro-4,6-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234228
5-(2-chloro-4,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109244991
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263439
N-(2-chloro-4,6-dimethylphenyl)-5-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109244980
N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240170

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide (CID 109224849) is 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide is Cc1cc(C)c(Nc2cncc(C(=O)NCC(C)C)c2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is FNKJHJFHCCYXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-11(2)8-21-18(23)14-7-15(10-20-9-14)22-17-13(4)5-12(3)6-16(17)19/h5-7,9-11,22H,8H2,1-4H3,(H,21,23).
What are the key properties of 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109224849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).