N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide

C18H23N3O2 — CID 109240290

IUPACN-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(Nc2ccccc2OC)c1
InChIInChI=1S/C18H23N3O2/c1-4-5-10-21(2)18(22)14-11-15(13-19-12-14)20-16-8-6-7-9-17(16)23-3/h6-9,11-13,20H,4-5,10H2,1-3H3
InChIKeyJPVPBFSQLQMQLJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.71
Rot. Bonds7

About N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide

N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109240290) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
PubChem CID109240290
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cncc(Nc2ccccc2OC)c1
InChIInChI=1S/C18H23N3O2/c1-4-5-10-21(2)18(22)14-11-15(13-19-12-14)20-16-8-6-7-9-17(16)23-3/h6-9,11-13,20H,4-5,10H2,1-3H3
InChIKeyJPVPBFSQLQMQLJ-UHFFFAOYSA-N
XLogP3.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109233098
N,N-diethyl-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109238813
N-butyl-N-methyl-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109240301
N-butyl-5-(5-chloro-2-methylanilino)-N-methylpyridine-3-carboxamide
CID 109240281
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237038
N,N-diethyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109238819
5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107345
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109103454
N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263915
4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047373
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (CID 109240290) is N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is CCCCN(C)C(=O)c1cncc(Nc2ccccc2OC)c1.
What is the InChIKey of N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is JPVPBFSQLQMQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-5-10-21(2)18(22)14-11-15(13-19-12-14)20-16-8-6-7-9-17(16)23-3/h6-9,11-13,20H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109240290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).