N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide

C19H25N3O4 — CID 109202633

IUPACN-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2cc(OC)c(OC)c(OC)c2)ccn1
InChIInChI=1S/C19H25N3O4/c1-5-6-8-21-19(23)15-10-13(7-9-20-15)22-14-11-16(24-2)18(26-4)17(12-14)25-3/h7,9-12H,5-6,8H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyGEMBNKSDXBNJKS-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.38
Rot. Bonds9

About N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide

N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (PubChem CID 109202633) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
PubChem CID109202633
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2cc(OC)c(OC)c(OC)c2)ccn1
InChIInChI=1S/C19H25N3O4/c1-5-6-8-21-19(23)15-10-13(7-9-20-15)22-14-11-16(24-2)18(26-4)17(12-14)25-3/h7,9-12H,5-6,8H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyGEMBNKSDXBNJKS-UHFFFAOYSA-N
XLogP3.38
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109201155
N-pentyl-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109195799
N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109202644
4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
N-(3-fluorophenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109222426
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205769

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide (CID 109202633) is N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is CCCCNC(=O)c1cc(Nc2cc(OC)c(OC)c(OC)c2)ccn1.
What is the InChIKey of N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
The InChIKey is GEMBNKSDXBNJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-6-8-21-19(23)15-10-13(7-9-20-15)22-14-11-16(24-2)18(26-4)17(12-14)25-3/h7,9-12H,5-6,8H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide?
N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109202633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).