1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C21H21BrN6O2 — CID 55971223

IUPAC1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3ccc(-n4cc(Br)cn4)cc3)cn2)C1
InChIInChI=1S/C21H21BrN6O2/c22-16-10-25-28(13-16)18-6-3-14(4-7-18)21(30)26-17-5-8-19(24-11-17)27-9-1-2-15(12-27)20(23)29/h3-8,10-11,13,15H,1-2,9,12H2,(H2,23,29)(H,26,30)
InChIKeyMZZHIBNDVCUJQH-UHFFFAOYSA-N
MW469.34 g/mol
LogP2.98
Rot. Bonds5

About 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55971223) has the molecular formula C21H21BrN6O2 and a molecular weight of 469.34 g/mol. Its IUPAC name is 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55971223
Molecular FormulaC21H21BrN6O2
Molecular Weight469.34 g/mol
Exact Mass468.09
IUPAC Name1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3ccc(-n4cc(Br)cn4)cc3)cn2)C1
InChIInChI=1S/C21H21BrN6O2/c22-16-10-25-28(13-16)18-6-3-14(4-7-18)21(30)26-17-5-8-19(24-11-17)27-9-1-2-15(12-27)20(23)29/h3-8,10-11,13,15H,1-2,9,12H2,(H2,23,29)(H,26,30)
InChIKeyMZZHIBNDVCUJQH-UHFFFAOYSA-N
XLogP2.98
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
1-[5-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700900
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970708
2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
CID 55968280
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 46602048
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55971223) is 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)c3ccc(-n4cc(Br)cn4)cc3)cn2)C1.
What is the InChIKey of 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is MZZHIBNDVCUJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN6O2/c22-16-10-25-28(13-16)18-6-3-14(4-7-18)21(30)26-17-5-8-19(24-11-17)27-9-1-2-15(12-27)20(23)29/h3-8,10-11,13,15H,1-2,9,12H2,(H2,23,29)(H,26,30).
What are the key properties of 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 469.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55971223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).