N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide

C22H22N4O3S — CID 10454929

IUPACN-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CNC(=O)Nc3ccc(SC)cc3)c2)ccn1
InChIInChI=1S/C22H22N4O3S/c1-23-21(27)20-13-18(10-11-24-20)29-17-5-3-4-15(12-17)14-25-22(28)26-16-6-8-19(30-2)9-7-16/h3-13H,14H2,1-2H3,(H,23,27)(H2,25,26,28)
InChIKeyLLYIZBZTVIYIAE-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.28
Rot. Bonds7

About N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide

N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide (PubChem CID 10454929) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide
PubChem CID10454929
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CNC(=O)Nc3ccc(SC)cc3)c2)ccn1
InChIInChI=1S/C22H22N4O3S/c1-23-21(27)20-13-18(10-11-24-20)29-17-5-3-4-15(12-17)14-25-22(28)26-16-6-8-19(30-2)9-7-16/h3-13H,14H2,1-2H3,(H,23,27)(H2,25,26,28)
InChIKeyLLYIZBZTVIYIAE-UHFFFAOYSA-N
XLogP4.28
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-4-[4-[2-[(4-methylsulfanylphenyl)carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11407586
N-methyl-4-[4-[[[3-(trifluoromethylsulfanyloxy)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide
CID 142886664
4-[4-[[[3-(dimethylamino)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044455
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 73388161
4-[2-fluoro-4-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methylcarbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 166375599
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070
4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 71122267
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide (CID 10454929) is N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(CNC(=O)Nc3ccc(SC)cc3)c2)ccn1.
What is the InChIKey of N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is LLYIZBZTVIYIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-23-21(27)20-13-18(10-11-24-20)29-17-5-3-4-15(12-17)14-25-22(28)26-16-6-8-19(30-2)9-7-16/h3-13H,14H2,1-2H3,(H,23,27)(H2,25,26,28).
What are the key properties of N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 10454929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).