4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C19H19FN4O4 — CID 166405357

IUPAC4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESC=CC(=O)NCCC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1
InChIInChI=1S/C19H19FN4O4/c1-3-17(25)23-9-7-18(26)24-12-4-5-16(14(20)10-12)28-13-6-8-22-15(11-13)19(27)21-2/h3-6,8,10-11H,1,7,9H2,2H3,(H,21,27)(H,23,25)(H,24,26)
InChIKeyDOAYYMCEUBAOPT-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.00
Rot. Bonds8

About 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 166405357) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID166405357
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESC=CC(=O)NCCC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1
InChIInChI=1S/C19H19FN4O4/c1-3-17(25)23-9-7-18(26)24-12-4-5-16(14(20)10-12)28-13-6-8-22-15(11-13)19(27)21-2/h3-6,8,10-11H,1,7,9H2,2H3,(H,21,27)(H,23,25)(H,24,26)
InChIKeyDOAYYMCEUBAOPT-UHFFFAOYSA-N
XLogP2.00
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893255
3-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluoroanilino]-3-oxopropanoic acid
CID 141149507
N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide
CID 166412297
4-[2-chloro-4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674310
4-[2-fluoro-4-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methylcarbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 166375599
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58674628
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-3-(methylcarbamoylamino)propanamide
CID 166403610
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
4-[5-[(1-aminocyclopropanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893205
N-[3-fluoro-4-(4-fluorophenoxy)phenyl]prop-2-enamide
CID 167449680
N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
CID 58968827

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 166405357) is 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide is C=CC(=O)NCCC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is DOAYYMCEUBAOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-3-17(25)23-9-7-18(26)24-12-4-5-16(14(20)10-12)28-13-6-8-22-15(11-13)19(27)21-2/h3-6,8,10-11H,1,7,9H2,2H3,(H,21,27)(H,23,25)(H,24,26).
What are the key properties of 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[3-(prop-2-enoylamino)propanoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 166405357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).