N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

C18H23N3O4 — CID 109223331

IUPACN-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2cncc(C(=O)NC(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C18H23N3O4/c1-11(2)20-18(22)12-6-14(10-19-9-12)21-13-7-15(23-3)17(25-5)16(8-13)24-4/h6-11,21H,1-5H3,(H,20,22)
InChIKeyYSXRSHAJXFFVDA-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.99
Rot. Bonds7

About N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109223331) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
PubChem CID109223331
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2cncc(C(=O)NC(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C18H23N3O4/c1-11(2)20-18(22)12-6-14(10-19-9-12)21-13-7-15(23-3)17(25-5)16(8-13)24-4/h6-11,21H,1-5H3,(H,20,22)
InChIKeyYSXRSHAJXFFVDA-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109223529
5-(2,5-dimethoxyanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223294
piperidin-1-yl-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]methanone
CID 109226421
N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109223266
5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223324
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223169
5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232834
5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223277

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (CID 109223331) is N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is COc1cc(Nc2cncc(C(=O)NC(C)C)c2)cc(OC)c1OC.
What is the InChIKey of N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is YSXRSHAJXFFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(2)20-18(22)12-6-14(10-19-9-12)21-13-7-15(23-3)17(25-5)16(8-13)24-4/h6-11,21H,1-5H3,(H,20,22).
What are the key properties of N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109223331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).