4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide

C22H20N4O5 — CID 58858348

IUPAC4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)NNC(=O)c3ccc(OC)cc3)c2)ccn1
InChIInChI=1S/C22H20N4O5/c1-23-22(29)19-13-18(10-11-24-19)31-17-5-3-4-15(12-17)21(28)26-25-20(27)14-6-8-16(30-2)9-7-14/h3-13H,1-2H3,(H,23,29)(H,25,27)(H,26,28)
InChIKeyIBBVLLVZNYMWJX-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.32
Rot. Bonds6

About 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 58858348) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID58858348
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)NNC(=O)c3ccc(OC)cc3)c2)ccn1
InChIInChI=1S/C22H20N4O5/c1-23-22(29)19-13-18(10-11-24-19)31-17-5-3-4-15(12-17)21(28)26-25-20(27)14-6-8-16(30-2)9-7-14/h3-13H,1-2H3,(H,23,29)(H,25,27)(H,26,28)
InChIKeyIBBVLLVZNYMWJX-UHFFFAOYSA-N
XLogP2.32
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
4-[4-[[(3,4-dimethylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11212255
4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 143062062
N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11213278
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-[3-[hydroxy-(3-methylphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 87834569
4-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylpyridine-2-carboxamide
CID 138549857
4-[3-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11327580
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 58858348) is 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(C(=O)NNC(=O)c3ccc(OC)cc3)c2)ccn1.
What is the InChIKey of 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is IBBVLLVZNYMWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-23-22(29)19-13-18(10-11-24-19)31-17-5-3-4-15(12-17)21(28)26-25-20(27)14-6-8-16(30-2)9-7-14/h3-13H,1-2H3,(H,23,29)(H,25,27)(H,26,28).
What are the key properties of 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58858348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).