4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C21H19ClN4O3 — CID 139036241

IUPAC4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3c(C)cccc3Cl)cc2)ccn1
InChIInChI=1S/C21H19ClN4O3/c1-13-4-3-5-17(22)19(13)26-21(28)25-14-6-8-15(9-7-14)29-16-10-11-24-18(12-16)20(27)23-2/h3-12H,1-2H3,(H,23,27)(H2,25,26,28)
InChIKeyDTWDDOUVHJOZTA-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.84
Rot. Bonds5

About 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 139036241) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID139036241
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3c(C)cccc3Cl)cc2)ccn1
InChIInChI=1S/C21H19ClN4O3/c1-13-4-3-5-17(22)19(13)26-21(28)25-14-6-8-15(9-7-14)29-16-10-11-24-18(12-16)20(27)23-2/h3-12H,1-2H3,(H,23,27)(H2,25,26,28)
InChIKeyDTWDDOUVHJOZTA-UHFFFAOYSA-N
XLogP4.84
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
N-methyl-4-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143505922
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 139036241) is 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3c(C)cccc3Cl)cc2)ccn1.
What is the InChIKey of 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is DTWDDOUVHJOZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-13-4-3-5-17(22)19(13)26-21(28)25-14-6-8-15(9-7-14)29-16-10-11-24-18(12-16)20(27)23-2/h3-12H,1-2H3,(H,23,27)(H2,25,26,28).
What are the key properties of 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 139036241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).