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

C18H23N3O4 — CID 109223529

IUPAC5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(NC(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C18H23N3O4/c1-11(2)20-14-6-12(9-19-10-14)18(22)21-13-7-15(23-3)17(25-5)16(8-13)24-4/h6-11,20H,1-5H3,(H,21,22)
InChIKeyWXWSKHUDXQELRJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.18
Rot. Bonds7

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

5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109223529) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID109223529
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(NC(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C18H23N3O4/c1-11(2)20-14-6-12(9-19-10-14)18(22)21-13-7-15(23-3)17(25-5)16(8-13)24-4/h6-11,20H,1-5H3,(H,21,22)
InChIKeyWXWSKHUDXQELRJ-UHFFFAOYSA-N
XLogP3.18
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109223331
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
5-(pyrrolidine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109102640
5-(dipropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109241100
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
N-(2,5-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223537
N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223552
6-(butan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109152022
piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone
CID 109226421
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 109223529) is 5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cncc(NC(C)C)c2)cc(OC)c1OC.
What is the InChIKey of 5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is WXWSKHUDXQELRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(2)20-14-6-12(9-19-10-14)18(22)21-13-7-15(23-3)17(25-5)16(8-13)24-4/h6-11,20H,1-5H3,(H,21,22).
What are the key properties of 5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109223529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).