N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

C23H23FN4O2 — CID 95105620

IUPACN-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CC[C@H](NCc3ccccc3O)C2)nc1
InChIInChI=1S/C23H23FN4O2/c24-18-5-3-6-19(12-18)27-23(30)17-8-9-22(26-14-17)28-11-10-20(15-28)25-13-16-4-1-2-7-21(16)29/h1-9,12,14,20,25,29H,10-11,13,15H2,(H,27,30)/t20-/m0/s1
InChIKeyTUGGIULIOBADBN-FQEVSTJZSA-N
MW406.46 g/mol
LogP3.55
Rot. Bonds6

About N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 95105620) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID95105620
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CC[C@H](NCc3ccccc3O)C2)nc1
InChIInChI=1S/C23H23FN4O2/c24-18-5-3-6-19(12-18)27-23(30)17-8-9-22(26-14-17)28-11-10-20(15-28)25-13-16-4-1-2-7-21(16)29/h1-9,12,14,20,25,29H,10-11,13,15H2,(H,27,30)/t20-/m0/s1
InChIKeyTUGGIULIOBADBN-FQEVSTJZSA-N
XLogP3.55
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide
CID 95105572
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 146153254
N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 95105589
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
6-[(3S)-1-acetylpiperidin-3-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 95825978
6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 75371100
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-[(3-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 16730301
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
(3S)-1-(5-chloro-2-pyridinyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 59860364
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 87635860
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (CID 95105620) is N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@H](NCc3ccccc3O)C2)nc1.
What is the InChIKey of N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is TUGGIULIOBADBN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-18-5-3-6-19(12-18)27-23(30)17-8-9-22(26-14-17)28-11-10-20(15-28)25-13-16-4-1-2-7-21(16)29/h1-9,12,14,20,25,29H,10-11,13,15H2,(H,27,30)/t20-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95105620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).