N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

C19H25N3O4 — CID 109151937

IUPACN-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)NCC(C)C)cn2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O4/c1-12(2)10-21-19(23)13-6-7-17(20-11-13)22-14-8-15(24-3)18(26-5)16(9-14)25-4/h6-9,11-12H,10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyHKPAFJGXCKYLSK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.24
Rot. Bonds8

About N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109151937) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
PubChem CID109151937
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)NCC(C)C)cn2)cc(OC)c1OC
InChIInChI=1S/C19H25N3O4/c1-12(2)10-21-19(23)13-6-7-17(20-11-13)22-14-8-15(24-3)18(26-5)16(9-14)25-4/h6-9,11-12H,10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyHKPAFJGXCKYLSK-UHFFFAOYSA-N
XLogP3.24
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109151861
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109152022
6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151913
methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161262
6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109321155
N-(2,3-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 64583359
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151940
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151811
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 61374133
5-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
CID 109273091

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (CID 109151937) is N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is COc1cc(Nc2ccc(C(=O)NCC(C)C)cn2)cc(OC)c1OC.
What is the InChIKey of N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is HKPAFJGXCKYLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12(2)10-21-19(23)13-6-7-17(20-11-13)22-14-8-15(24-3)18(26-5)16(9-14)25-4/h6-9,11-12H,10H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109151937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).