6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C19H25N3O4 — CID 109152022

IUPAC6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C19H25N3O4/c1-6-12(2)21-17-8-7-13(11-20-17)19(23)22-14-9-15(24-3)18(26-5)16(10-14)25-4/h7-12H,6H2,1-5H3,(H,20,21)(H,22,23)
InChIKeyHEHIJGRORLVYKB-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.57
Rot. Bonds8

About 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109152022) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID109152022
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C19H25N3O4/c1-6-12(2)21-17-8-7-13(11-20-17)19(23)22-14-9-15(24-3)18(26-5)16(10-14)25-4/h7-12H,6H2,1-5H3,(H,20,21)(H,22,23)
InChIKeyHEHIJGRORLVYKB-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
4-(butan-2-ylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 46646956
6-(dipropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109161852
N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109151937
6-(butan-2-ylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109151959
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109263606
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 109152022) is 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is CCC(C)Nc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is HEHIJGRORLVYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-6-12(2)21-17-8-7-13(11-20-17)19(23)22-14-9-15(24-3)18(26-5)16(10-14)25-4/h7-12H,6H2,1-5H3,(H,20,21)(H,22,23).
What are the key properties of 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109152022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).