4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide

C19H21N3O4S — CID 123302198

IUPAC4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCC=CC(=CC)S(=O)(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-4-6-17(5-2)27(24,25)22-14-7-9-15(10-8-14)26-16-11-12-21-18(13-16)19(23)20-3/h4-13,22H,1-3H3,(H,20,23)
InChIKeyHGPNRABGQLXJND-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.46
Rot. Bonds7

About 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide

4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 123302198) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID123302198
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCC=CC(=CC)S(=O)(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-4-6-17(5-2)27(24,25)22-14-7-9-15(10-8-14)26-16-11-12-21-18(13-16)19(23)20-3/h4-13,22H,1-3H3,(H,20,23)
InChIKeyHGPNRABGQLXJND-UHFFFAOYSA-N
XLogP3.46
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2,2-dicyanoethenylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 168541218
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 130247726
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
4-[4-[(2-fluoro-5-methylsulfonylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919764

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide (CID 123302198) is 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide is CC=CC(=CC)S(=O)(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1.
What is the InChIKey of 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is HGPNRABGQLXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-4-6-17(5-2)27(24,25)22-14-7-9-15(10-8-14)26-16-11-12-21-18(13-16)19(23)20-3/h4-13,22H,1-3H3,(H,20,23).
What are the key properties of 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hexa-2,4-dien-3-ylsulfonylamino)phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 123302198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).