N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide

C18H24BrN5O — CID 172892168

IUPACN-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(c3ccncc3Br)CC2)nn1C
InChIInChI=1S/C18H24BrN5O/c1-13-10-16(21-23(13)3)18(25)22(2)12-14-5-8-24(9-6-14)17-4-7-20-11-15(17)19/h4,7,10-11,14H,5-6,8-9,12H2,1-3H3
InChIKeyBDUOPIAZBVCCRA-UHFFFAOYSA-N
MW406.33 g/mol
LogP2.87
Rot. Bonds4

About N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172892168) has the molecular formula C18H24BrN5O and a molecular weight of 406.33 g/mol. Its IUPAC name is N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172892168
Molecular FormulaC18H24BrN5O
Molecular Weight406.33 g/mol
Exact Mass405.12
IUPAC NameN-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCN(c3ccncc3Br)CC2)nn1C
InChIInChI=1S/C18H24BrN5O/c1-13-10-16(21-23(13)3)18(25)22(2)12-14-5-8-24(9-6-14)17-4-7-20-11-15(17)19/h4,7,10-11,14H,5-6,8-9,12H2,1-3H3
InChIKeyBDUOPIAZBVCCRA-UHFFFAOYSA-N
XLogP2.87
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 52.87
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-dimethylpyrazole-4-carboxamide
CID 172881197
N,1,5-trimethyl-N-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892523
N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881066
N-[[1-(5,7-dimethyl-1,8-naphthyridin-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892560
N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172899868
N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172891303
N-[[1-(7-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892514
N-[[1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172893358
N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892283
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172892168) is N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2CCN(c3ccncc3Br)CC2)nn1C.
What is the InChIKey of N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is BDUOPIAZBVCCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN5O/c1-13-10-16(21-23(13)3)18(25)22(2)12-14-5-8-24(9-6-14)17-4-7-20-11-15(17)19/h4,7,10-11,14H,5-6,8-9,12H2,1-3H3.
What are the key properties of N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 406.33 g/mol, XLogP of 2.87, 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,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172892168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).