N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C18H25N5O — CID 172881291

IUPACN,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCN(CC1CCN(Cc2ccncc2)CC1)C(=O)c1cnn(C)c1
InChIInChI=1S/C18H25N5O/c1-21(18(24)17-11-20-22(2)14-17)12-16-5-9-23(10-6-16)13-15-3-7-19-8-4-15/h3-4,7-8,11,14,16H,5-6,9-10,12-13H2,1-2H3
InChIKeyHCZXVNZYXTUODG-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.80
Rot. Bonds5

About N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 172881291) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID172881291
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCN(CC1CCN(Cc2ccncc2)CC1)C(=O)c1cnn(C)c1
InChIInChI=1S/C18H25N5O/c1-21(18(24)17-11-20-22(2)14-17)12-16-5-9-23(10-6-16)13-15-3-7-19-8-4-15/h3-4,7-8,11,14,16H,5-6,9-10,12-13H2,1-2H3
InChIKeyHCZXVNZYXTUODG-UHFFFAOYSA-N
XLogP1.80
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.80
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-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-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650040
N-[[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172892732
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide
CID 68619075
N,1-dimethyl-N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172892297
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
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
[2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 56820079
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 172881291) is N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is CN(CC1CCN(Cc2ccncc2)CC1)C(=O)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is HCZXVNZYXTUODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-21(18(24)17-11-20-22(2)14-17)12-16-5-9-23(10-6-16)13-15-3-7-19-8-4-15/h3-4,7-8,11,14,16H,5-6,9-10,12-13H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 172881291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).