4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide

C22H20Cl2N4O3 — CID 10411867

IUPAC4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(C)NC(=O)Nc3ccc(Cl)cc3Cl)c2)ccn1
InChIInChI=1S/C22H20Cl2N4O3/c1-13(27-22(30)28-19-7-6-15(23)11-18(19)24)14-4-3-5-16(10-14)31-17-8-9-26-20(12-17)21(29)25-2/h3-13H,1-2H3,(H,25,29)(H2,27,28,30)
InChIKeyVLPJNWJNCBDZDN-UHFFFAOYSA-N
MW459.33 g/mol
LogP5.42
Rot. Bonds6

About 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 10411867) has the molecular formula C22H20Cl2N4O3 and a molecular weight of 459.33 g/mol. Its IUPAC name is 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID10411867
Molecular FormulaC22H20Cl2N4O3
Molecular Weight459.33 g/mol
Exact Mass458.09
IUPAC Name4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(C)NC(=O)Nc3ccc(Cl)cc3Cl)c2)ccn1
InChIInChI=1S/C22H20Cl2N4O3/c1-13(27-22(30)28-19-7-6-15(23)11-18(19)24)14-4-3-5-16(10-14)31-17-8-9-26-20(12-17)21(29)25-2/h3-13H,1-2H3,(H,25,29)(H2,27,28,30)
InChIKeyVLPJNWJNCBDZDN-UHFFFAOYSA-N
XLogP5.42
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.33
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10412466
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
CID 58968827
4-[4-[(4-chloro-3-propan-2-ylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155808888
4-[4-[1-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044447
4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10433934
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
4-[4-[[3-tert-butyl-1-(3-methoxyphenyl)pyrazol-5-yl]carbamoylamino]-3-chlorophenoxy]-N-methylpyridine-2-carboxamide
CID 58385468
4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11224505
N-(2,4-dichlorophenyl)-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109221628
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 10411867) is 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(C(C)NC(=O)Nc3ccc(Cl)cc3Cl)c2)ccn1.
What is the InChIKey of 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is VLPJNWJNCBDZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O3/c1-13(27-22(30)28-19-7-6-15(23)11-18(19)24)14-4-3-5-16(10-14)31-17-8-9-26-20(12-17)21(29)25-2/h3-13H,1-2H3,(H,25,29)(H2,27,28,30).
What are the key properties of 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 459.33 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[(2,4-dichlorophenyl)carbamoylamino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 10411867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).