N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide

C18H23N3O — CID 109223266

IUPACN-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
SMILESCc1cc(C)c(Nc2cncc(C(=O)NC(C)C)c2)c(C)c1
InChIInChI=1S/C18H23N3O/c1-11(2)20-18(22)15-8-16(10-19-9-15)21-17-13(4)6-12(3)7-14(17)5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyBRCHZKQKOVCEGM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.89
Rot. Bonds4

About N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide

N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide (PubChem CID 109223266) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
PubChem CID109223266
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
SMILESCc1cc(C)c(Nc2cncc(C(=O)NC(C)C)c2)c(C)c1
InChIInChI=1S/C18H23N3O/c1-11(2)20-18(22)15-8-16(10-19-9-15)21-17-13(4)6-12(3)7-14(17)5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyBRCHZKQKOVCEGM-UHFFFAOYSA-N
XLogP3.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224849
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223324
5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223277
N-(2-methoxyphenyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109243927
5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
5-(2,6-dimethylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243006
N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109223331
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227747
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223234
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide (CID 109223266) is N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide is Cc1cc(C)c(Nc2cncc(C(=O)NC(C)C)c2)c(C)c1.
What is the InChIKey of N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
The InChIKey is BRCHZKQKOVCEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-11(2)20-18(22)15-8-16(10-19-9-15)21-17-13(4)6-12(3)7-14(17)5/h6-11,21H,1-5H3,(H,20,22).
What are the key properties of N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide?
N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109223266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).