N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide

C19H14FN3O3 — CID 75896601

IUPACN-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide
SMILESO=C(C=Cc1ccco1)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C19H14FN3O3/c20-13-6-8-15(23-19(25)16-5-1-2-10-21-16)17(12-13)22-18(24)9-7-14-4-3-11-26-14/h1-12H,(H,22,24)(H,23,25)
InChIKeyLTCOAGYFXBQTSP-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.72
Rot. Bonds5

About N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide

N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide (PubChem CID 75896601) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide
PubChem CID75896601
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC NameN-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide
SMILESO=C(C=Cc1ccco1)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C19H14FN3O3/c20-13-6-8-15(23-19(25)16-5-1-2-10-21-16)17(12-13)22-18(24)9-7-14-4-3-11-26-14/h1-12H,(H,22,24)(H,23,25)
InChIKeyLTCOAGYFXBQTSP-UHFFFAOYSA-N
XLogP3.72
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
CID 76869971
(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2683689
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide
CID 60581190
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
3-fluoro-4-[3-(furan-2-yl)prop-2-enoylamino]benzoic acid
CID 76988155
N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
CID 119844812
(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide
CID 113231012
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-5-iodobenzoic acid
CID 45345795
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
CID 110461612

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide (CID 75896601) is N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide is O=C(C=Cc1ccco1)Nc1cc(F)ccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide?
The InChIKey is LTCOAGYFXBQTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-13-6-8-15(23-19(25)16-5-1-2-10-21-16)17(12-13)22-18(24)9-7-14-4-3-11-26-14/h1-12H,(H,22,24)(H,23,25).
What are the key properties of N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide?
N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[3-(furan-2-yl)prop-2-enoylamino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 75896601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).