6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide

C23H23FN4O — CID 95105572

IUPAC6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CC[C@@H](NCc3ccc(F)cc3)C2)nc1
InChIInChI=1S/C23H23FN4O/c24-19-9-6-17(7-10-19)14-25-21-12-13-28(16-21)22-11-8-18(15-26-22)23(29)27-20-4-2-1-3-5-20/h1-11,15,21,25H,12-14,16H2,(H,27,29)/t21-/m1/s1
InChIKeyROAVQSMBWHKDPA-OAQYLSRUSA-N
MW390.46 g/mol
LogP3.84
Rot. Bonds6

About 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide

6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide (PubChem CID 95105572) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide
PubChem CID95105572
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CC[C@@H](NCc3ccc(F)cc3)C2)nc1
InChIInChI=1S/C23H23FN4O/c24-19-9-6-17(7-10-19)14-25-21-12-13-28(16-21)22-11-8-18(15-26-22)23(29)27-20-4-2-1-3-5-20/h1-11,15,21,25H,12-14,16H2,(H,27,29)/t21-/m1/s1
InChIKeyROAVQSMBWHKDPA-OAQYLSRUSA-N
XLogP3.84
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide 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

N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 95105620
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155580
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
CID 58866660
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 146153254
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 106910526
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide (CID 95105572) is 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(N2CC[C@@H](NCc3ccc(F)cc3)C2)nc1.
What is the InChIKey of 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide?
The InChIKey is ROAVQSMBWHKDPA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-19-9-6-17(7-10-19)14-25-21-12-13-28(16-21)22-11-8-18(15-26-22)23(29)27-20-4-2-1-3-5-20/h1-11,15,21,25H,12-14,16H2,(H,27,29)/t21-/m1/s1.
What are the key properties of 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide?
6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[(4-fluorophenyl)methylamino]pyrrolidin-1-yl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 95105572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).