N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide

C20H27N3O — CID 109195948

IUPACN-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2c(C)cccc2CC)cn1
InChIInChI=1S/C20H27N3O/c1-5-7-13-23(4)20(24)18-12-11-17(14-21-18)22-19-15(3)9-8-10-16(19)6-2/h8-12,14,22H,5-7,13H2,1-4H3
InChIKeyHLACEKALVZKEGD-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.57
Rot. Bonds7

About N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide

N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide (PubChem CID 109195948) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide
PubChem CID109195948
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2c(C)cccc2CC)cn1
InChIInChI=1S/C20H27N3O/c1-5-7-13-23(4)20(24)18-12-11-17(14-21-18)22-19-15(3)9-8-10-16(19)6-2/h8-12,14,22H,5-7,13H2,1-4H3
InChIKeyHLACEKALVZKEGD-UHFFFAOYSA-N
XLogP4.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288254
5-(2-ethyl-6-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192888
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109196018
N-(4-acetamidophenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109198611
N-butyl-N-methyl-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109196007
N-cyclopropyl-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109179938
methyl 2-[[6-[butyl(methyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109195986
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631
5-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109198604
6-N-butyl-2-N-(2,6-dimethylphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099543
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide (CID 109195948) is N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2c(C)cccc2CC)cn1.
What is the InChIKey of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is HLACEKALVZKEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-7-13-23(4)20(24)18-12-11-17(14-21-18)22-19-15(3)9-8-10-16(19)6-2/h8-12,14,22H,5-7,13H2,1-4H3.
What are the key properties of N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide?
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109195948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).