3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

C23H22FN3O2 — CID 76692648

IUPAC3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(CN2CCC=C(c3c[nH]c4ccccc34)C2)c(F)c1)NO
InChIInChI=1S/C23H22FN3O2/c24-21-12-16(8-10-23(28)26-29)7-9-18(21)15-27-11-3-4-17(14-27)20-13-25-22-6-2-1-5-19(20)22/h1-2,4-10,12-13,25,29H,3,11,14-15H2,(H,26,28)
InChIKeyPYSMEQQMQANJRI-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.11
Rot. Bonds5

About 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 76692648) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID76692648
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc(CN2CCC=C(c3c[nH]c4ccccc34)C2)c(F)c1)NO
InChIInChI=1S/C23H22FN3O2/c24-21-12-16(8-10-23(28)26-29)7-9-18(21)15-27-11-3-4-17(14-27)20-13-25-22-6-2-1-5-19(20)22/h1-2,4-10,12-13,25,29H,3,11,14-15H2,(H,26,28)
InChIKeyPYSMEQQMQANJRI-UHFFFAOYSA-N
XLogP4.11
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-fluoro-4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 123585685
(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613709
N-hydroxy-3-[4-[[(2S)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 123731300
3-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76908251
N-hydroxy-3-[1'-[2-(1H-indol-3-yl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]prop-2-enamide
CID 123922862
3-[1'-[(5-fluoro-1H-indol-3-yl)methyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-N-hydroxyprop-2-enamide;hydrochloride
CID 173032830
(E)-N-hydroxy-3-[4-[[2-hydroxyethyl(1H-indol-3-ylmethyl)amino]methyl]phenyl]prop-2-enamide
CID 20579430
(E)-3-[4-[[acetyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579514
(E)-3-[3-fluoro-4-[[3-(2-methyl-5-morpholin-4-yl-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 50991968
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838719
N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 123770791
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 76692648) is 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1ccc(CN2CCC=C(c3c[nH]c4ccccc34)C2)c(F)c1)NO.
What is the InChIKey of 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is PYSMEQQMQANJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-21-12-16(8-10-23(28)26-29)7-9-18(21)15-27-11-3-4-17(14-27)20-13-25-22-6-2-1-5-19(20)22/h1-2,4-10,12-13,25,29H,3,11,14-15H2,(H,26,28).
What are the key properties of 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 391.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[[5-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 76692648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).