N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide

C22H29N5O2 — CID 167792698

IUPACN,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESC=C(C)CC(=O)N1CCCC(CN(C)C(=O)c2cc(C)n(-c3ccccn3)n2)C1
InChIInChI=1S/C22H29N5O2/c1-16(2)12-21(28)26-11-7-8-18(15-26)14-25(4)22(29)19-13-17(3)27(24-19)20-9-5-6-10-23-20/h5-6,9-10,13,18H,1,7-8,11-12,14-15H2,2-4H3
InChIKeyXFTGJPDGUJBPGT-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.85
Rot. Bonds6

About N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide

N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 167792698) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID167792698
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESC=C(C)CC(=O)N1CCCC(CN(C)C(=O)c2cc(C)n(-c3ccccn3)n2)C1
InChIInChI=1S/C22H29N5O2/c1-16(2)12-21(28)26-11-7-8-18(15-26)14-25(4)22(29)19-13-17(3)27(24-19)20-9-5-6-10-23-20/h5-6,9-10,13,18H,1,7-8,11-12,14-15H2,2-4H3
InChIKeyXFTGJPDGUJBPGT-UHFFFAOYSA-N
XLogP2.85
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

3-(1-acetylpiperidin-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 72912225
3-[(3S)-1-[2-(diethylamino)acetyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 25365297
N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide
CID 166373507
(3S)-3-[(1-pyridin-2-ylindazol-3-yl)oxymethyl]piperidine-1-carboxylic acid
CID 150887676
1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide
CID 167757303
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397753
3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
3-[(3R)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 26408155
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
3-cyclopentyl-1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 90507766
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide (CID 167792698) is N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide is C=C(C)CC(=O)N1CCCC(CN(C)C(=O)c2cc(C)n(-c3ccccn3)n2)C1.
What is the InChIKey of N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is XFTGJPDGUJBPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16(2)12-21(28)26-11-7-8-18(15-26)14-25(4)22(29)19-13-17(3)27(24-19)20-9-5-6-10-23-20/h5-6,9-10,13,18H,1,7-8,11-12,14-15H2,2-4H3.
What are the key properties of N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide?
N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 167792698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).