N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide

C19H21BrFN3O2 — CID 99788894

IUPACN-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
SMILESC[C@H]1CCCCN1c1cc(C(=O)NOCc2ccc(F)cc2Br)ccn1
InChIInChI=1S/C19H21BrFN3O2/c1-13-4-2-3-9-24(13)18-10-14(7-8-22-18)19(25)23-26-12-15-5-6-16(21)11-17(15)20/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyZDLPFXHCKVUHGH-ZDUSSCGKSA-N
MW422.30 g/mol
LogP4.22
Rot. Bonds5

About N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide

N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide (PubChem CID 99788894) has the molecular formula C19H21BrFN3O2 and a molecular weight of 422.30 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
PubChem CID99788894
Molecular FormulaC19H21BrFN3O2
Molecular Weight422.30 g/mol
Exact Mass421.08
IUPAC NameN-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
SMILESC[C@H]1CCCCN1c1cc(C(=O)NOCc2ccc(F)cc2Br)ccn1
InChIInChI=1S/C19H21BrFN3O2/c1-13-4-2-3-9-24(13)18-10-14(7-8-22-18)19(25)23-26-12-15-5-6-16(21)11-17(15)20/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyZDLPFXHCKVUHGH-ZDUSSCGKSA-N
XLogP4.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylpiperidin-1-yl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166191035
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]pyridine-4-carboxamide
CID 95313062
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 95281237
2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 170456761
N,N-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
CID 175589631
1-[(2-bromo-4-fluorophenyl)methoxy]-3-(oxolan-2-ylmethyl)urea
CID 119034430
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
CID 94811507
methyl 2-(2-bromopiperidin-1-yl)pyridine-4-carboxylate
CID 175100446
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472975
methyl 1-(4-carbamothioyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 43473975
N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102215

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide (CID 99788894) is N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide is C[C@H]1CCCCN1c1cc(C(=O)NOCc2ccc(F)cc2Br)ccn1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is ZDLPFXHCKVUHGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21BrFN3O2/c1-13-4-2-3-9-24(13)18-10-14(7-8-22-18)19(25)23-26-12-15-5-6-16(21)11-17(15)20/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,23,25)/t13-/m0/s1.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 422.30 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methoxy]-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 99788894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).