2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide

C25H28N4O3 — CID 146096764

IUPAC2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCc1cccc(NC(=O)CC(C)C)c1
InChIInChI=1S/C25H28N4O3/c1-17(2)14-23(30)28-19-9-6-8-18(15-19)16-27-25(31)20-10-7-13-26-24(20)29-21-11-4-5-12-22(21)32-3/h4-13,15,17H,14,16H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyKWVOCBGBEDKIAT-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.75
Rot. Bonds9

About 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide

2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 146096764) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide
PubChem CID146096764
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCc1cccc(NC(=O)CC(C)C)c1
InChIInChI=1S/C25H28N4O3/c1-17(2)14-23(30)28-19-9-6-8-18(15-19)16-27-25(31)20-10-7-13-26-24(20)29-21-11-4-5-12-22(21)32-3/h4-13,15,17H,14,16H2,1-3H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyKWVOCBGBEDKIAT-UHFFFAOYSA-N
XLogP4.75
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55971022
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
CID 55797093
2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 31945919
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 23632978
3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide
CID 133468788
N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide
CID 60589103
N-[3-[[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 111339548
2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide (CID 146096764) is 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)NCc1cccc(NC(=O)CC(C)C)c1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is KWVOCBGBEDKIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17(2)14-23(30)28-19-9-6-8-18(15-19)16-27-25(31)20-10-7-13-26-24(20)29-21-11-4-5-12-22(21)32-3/h4-13,15,17H,14,16H2,1-3H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.75, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 146096764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).