N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide

C18H23N3O3 — CID 109165857

IUPACN-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H23N3O3/c1-5-12(2)20-18(22)13-8-9-19-17(10-13)21-14-6-7-15(23-3)16(11-14)24-4/h6-12H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyTUWGQKYSSBEAIB-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.37
Rot. Bonds7

About N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide

N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide (PubChem CID 109165857) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
PubChem CID109165857
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H23N3O3/c1-5-12(2)20-18(22)13-8-9-19-17(10-13)21-14-6-7-15(23-3)16(11-14)24-4/h6-12H,5H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyTUWGQKYSSBEAIB-UHFFFAOYSA-N
XLogP3.37
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

methyl 4-[[4-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165860
2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170096
N-butan-2-yl-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109165854
N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109273249
N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109165879
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362633
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169645

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide (CID 109165857) is N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide is CCC(C)NC(=O)c1ccnc(Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
The InChIKey is TUWGQKYSSBEAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-12(2)20-18(22)13-8-9-19-17(10-13)21-14-6-7-15(23-3)16(11-14)24-4/h6-12H,5H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109165857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).