N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide

C18H22ClN3O — CID 109240281

IUPACN-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H22ClN3O/c1-4-5-8-22(3)18(23)14-9-16(12-20-11-14)21-17-10-15(19)7-6-13(17)2/h6-7,9-12,21H,4-5,8H2,1-3H3
InChIKeyZTYPFFOZERUTJE-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.66
Rot. Bonds6

About N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide

N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109240281) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
PubChem CID109240281
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H22ClN3O/c1-4-5-8-22(3)18(23)14-9-16(12-20-11-14)21-17-10-15(19)7-6-13(17)2/h6-7,9-12,21H,4-5,8H2,1-3H3
InChIKeyZTYPFFOZERUTJE-UHFFFAOYSA-N
XLogP4.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109240290
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596
N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109240301
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
CID 109240111
5-(5-chloro-2-methylanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244563
5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223277
5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238810
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide (CID 109240281) is N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1cncc(Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is ZTYPFFOZERUTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-4-5-8-22(3)18(23)14-9-16(12-20-11-14)21-17-10-15(19)7-6-13(17)2/h6-7,9-12,21H,4-5,8H2,1-3H3.
What are the key properties of N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide?
N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109240281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).