N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

C15H18BrN5O — CID 136521848

IUPACN-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)Nc3ccncc3Br)CC2)cn1
InChIInChI=1S/C15H18BrN5O/c1-20-10-12(8-18-20)11-3-6-21(7-4-11)15(22)19-14-2-5-17-9-13(14)16/h2,5,8-11H,3-4,6-7H2,1H3,(H,17,19,22)
InChIKeyRSBJNBIBQPOISV-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.99
Rot. Bonds2

About N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide

N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 136521848) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID136521848
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC NameN-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)Nc3ccncc3Br)CC2)cn1
InChIInChI=1S/C15H18BrN5O/c1-20-10-12(8-18-20)11-3-6-21(7-4-11)15(22)19-14-2-5-17-9-13(14)16/h2,5,8-11H,3-4,6-7H2,1H3,(H,17,19,22)
InChIKeyRSBJNBIBQPOISV-UHFFFAOYSA-N
XLogP2.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127788298
N-(3-bromo-4-pyridinyl)-4-(hydroxymethyl)azepane-1-carboxamide
CID 146092165
4-(1-ethylpyrazol-4-yl)-N-(3-nitro-4-pyridinyl)piperidine-1-carboxamide
CID 84599768
(3S)-N-(3-methoxy-2,4-dimethylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606829
N-(5-bromo-2-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 166211702
N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 136526239
1-[(3-bromo-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088443
N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 128635077
(3S)-N-(4-acetyl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124568170
5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124600978
(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124618863
methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615102

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide (CID 136521848) is N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide is Cn1cc(C2CCN(C(=O)Nc3ccncc3Br)CC2)cn1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is RSBJNBIBQPOISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-20-10-12(8-18-20)11-3-6-21(7-4-11)15(22)19-14-2-5-17-9-13(14)16/h2,5,8-11H,3-4,6-7H2,1H3,(H,17,19,22).
What are the key properties of N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide?
N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136521848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).