N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide

C18H23N3O3 — CID 109224477

IUPACN-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H23N3O3/c1-4-5-8-20-18(22)13-9-15(12-19-11-13)21-14-6-7-16(23-2)17(10-14)24-3/h6-7,9-12,21H,4-5,8H2,1-3H3,(H,20,22)
InChIKeyRKCSXSFINHYJRM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.37
Rot. Bonds8

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

N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109224477) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
PubChem CID109224477
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H23N3O3/c1-4-5-8-20-18(22)13-9-15(12-19-11-13)21-14-6-7-16(23-2)17(10-14)24-3/h6-7,9-12,21H,4-5,8H2,1-3H3,(H,20,22)
InChIKeyRKCSXSFINHYJRM-UHFFFAOYSA-N
XLogP3.37
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240080
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide (CID 109224477) is N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide is CCCCNC(=O)c1cncc(Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is RKCSXSFINHYJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-5-8-20-18(22)13-9-15(12-19-11-13)21-14-6-7-16(23-2)17(10-14)24-3/h6-7,9-12,21H,4-5,8H2,1-3H3,(H,20,22).
What are the key properties of N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide?
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109224477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).