N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

C17H22BrN5O — CID 172881197

IUPACN-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CC1CCN(c2ccncc2Br)CC1)C(=O)c1cnn(C)c1
InChIInChI=1S/C17H22BrN5O/c1-21(17(24)14-9-20-22(2)12-14)11-13-4-7-23(8-5-13)16-3-6-19-10-15(16)18/h3,6,9-10,12-13H,4-5,7-8,11H2,1-2H3
InChIKeyBAMWTPSTKLVWQA-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.57
Rot. Bonds4

About N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide

N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 172881197) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID172881197
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC NameN-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CC1CCN(c2ccncc2Br)CC1)C(=O)c1cnn(C)c1
InChIInChI=1S/C17H22BrN5O/c1-21(17(24)14-9-20-22(2)12-14)11-13-4-7-23(8-5-13)16-3-6-19-10-15(16)18/h3,6,9-10,12-13H,4-5,7-8,11H2,1-2H3
InChIKeyBAMWTPSTKLVWQA-UHFFFAOYSA-N
XLogP2.57
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892168
N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881291
N,1-dimethyl-N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881038
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172900726
N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881066
N,1-dimethyl-N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172892297
N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172881921
N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172892732
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 81244824
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 104779258
2-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 113452072

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 172881197) is N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is CN(CC1CCN(c2ccncc2Br)CC1)C(=O)c1cnn(C)c1.
What is the InChIKey of N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is BAMWTPSTKLVWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c1-21(17(24)14-9-20-22(2)12-14)11-13-4-7-23(8-5-13)16-3-6-19-10-15(16)18/h3,6,9-10,12-13H,4-5,7-8,11H2,1-2H3.
What are the key properties of N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 172881197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).