N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide

C23H22FN3O2 — CID 55849171

IUPACN-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1
InChIInChI=1S/C23H22FN3O2/c1-2-22(28)26-18-5-3-4-16(12-18)23(29)27-10-8-15(9-11-27)20-14-25-21-13-17(24)6-7-19(20)21/h3-8,12-14,25H,2,9-11H2,1H3,(H,26,28)
InChIKeyGGURCALSFIHDHK-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.59
Rot. Bonds4

About N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide

N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide (PubChem CID 55849171) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
PubChem CID55849171
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1
InChIInChI=1S/C23H22FN3O2/c1-2-22(28)26-18-5-3-4-16(12-18)23(29)27-10-8-15(9-11-27)20-14-25-21-13-17(24)6-7-19(20)21/h3-8,12-14,25H,2,9-11H2,1H3,(H,26,28)
InChIKeyGGURCALSFIHDHK-UHFFFAOYSA-N
XLogP4.59
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide 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

[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113086866
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113086869
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113087088
4-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 55728730
[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 84559915
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56546497
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 75452399
[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 48593711
[6-(cyclopropylmethylamino)-3-pyridinyl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146075595

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide?
The IUPAC name of N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide (CID 55849171) is N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide is CCC(=O)Nc1cccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1.
What is the InChIKey of N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide?
The InChIKey is GGURCALSFIHDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-2-22(28)26-18-5-3-4-16(12-18)23(29)27-10-8-15(9-11-27)20-14-25-21-13-17(24)6-7-19(20)21/h3-8,12-14,25H,2,9-11H2,1H3,(H,26,28).
What are the key properties of N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide?
N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide has a molecular weight of 391.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 55849171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).