N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide

C24H25N3O3S — CID 89291718

IUPACN-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(C(C)S)cc3)c2)ccn1
InChIInChI=1S/C24H25N3O3S/c1-16(31)18-6-8-19(9-7-18)23(28)27-12-10-17-4-3-5-20(14-17)30-21-11-13-26-22(15-21)24(29)25-2/h3-9,11,13-16,31H,10,12H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyCLUPZZNIYZVNEM-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.20
Rot. Bonds8

About N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide

N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide (PubChem CID 89291718) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
PubChem CID89291718
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(C(C)S)cc3)c2)ccn1
InChIInChI=1S/C24H25N3O3S/c1-16(31)18-6-8-19(9-7-18)23(28)27-12-10-17-4-3-5-20(14-17)30-21-11-13-26-22(15-21)24(29)25-2/h3-9,11,13-16,31H,10,12H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyCLUPZZNIYZVNEM-UHFFFAOYSA-N
XLogP4.20
TPSA80.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051719
4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051896
4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 71122267
4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051717
N-methyl-4-[3-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050084
N-methyl-4-[3-[2-[[3-(trifluoromethoxy)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050892
2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 25052237
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 25050082
4-[3-[2-[[2-(2-isocyanophenyl)sulfanylbenzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 59685030
4-chloro-N-[2-[3-[[2-(N,N'-dimethylcarbamimidoyl)-4-pyridinyl]oxy]phenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 59685045
N-[2-[3-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]ethyl]-1H-indole-5-carboxamide
CID 143640179

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide (CID 89291718) is N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(C(C)S)cc3)c2)ccn1.
What is the InChIKey of N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is CLUPZZNIYZVNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16(31)18-6-8-19(9-7-18)23(28)27-12-10-17-4-3-5-20(14-17)30-21-11-13-26-22(15-21)24(29)25-2/h3-9,11,13-16,31H,10,12H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 89291718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).