N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide

C23H20N4O4 — CID 166412297

IUPACN-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2ccccc2Oc2ccnc(C(=O)NC)c2)c1
InChIInChI=1S/C23H20N4O4/c1-3-21(28)26-16-8-6-7-15(13-16)22(29)27-18-9-4-5-10-20(18)31-17-11-12-25-19(14-17)23(30)24-2/h3-14H,1H2,2H3,(H,24,30)(H,26,28)(H,27,29)
InChIKeyIWGXNVGFGDOFPK-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.61
Rot. Bonds7

About N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide (PubChem CID 166412297) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide
PubChem CID166412297
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2ccccc2Oc2ccnc(C(=O)NC)c2)c1
InChIInChI=1S/C23H20N4O4/c1-3-21(28)26-16-8-6-7-15(13-16)22(29)27-18-9-4-5-10-20(18)31-17-11-12-25-19(14-17)23(30)24-2/h3-14H,1H2,2H3,(H,24,30)(H,26,28)(H,27,29)
InChIKeyIWGXNVGFGDOFPK-UHFFFAOYSA-N
XLogP3.61
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11327580
N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
CID 119893191
4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 120597201
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893186
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301
4-[4-[[5-(dimethylamino)-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 141353963
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
N-methyl-4-[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide
CID 144587275
4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 166405357
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide (CID 166412297) is N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide is C=CC(=O)Nc1cccc(C(=O)Nc2ccccc2Oc2ccnc(C(=O)NC)c2)c1.
What is the InChIKey of N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide?
The InChIKey is IWGXNVGFGDOFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-3-21(28)26-16-8-6-7-15(13-16)22(29)27-18-9-4-5-10-20(18)31-17-11-12-25-19(14-17)23(30)24-2/h3-14H,1H2,2H3,(H,24,30)(H,26,28)(H,27,29).
What are the key properties of N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166412297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).