N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

C19H31N5O — CID 75261568

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)C2CC(c3ccccn3)NN2)C1
InChIInChI=1S/C19H31N5O/c1-14-10-15(2)13-24(12-14)9-5-8-21-19(25)18-11-17(22-23-18)16-6-3-4-7-20-16/h3-4,6-7,14-15,17-18,22-23H,5,8-13H2,1-2H3,(H,21,25)
InChIKeyXRIOGKVMEGEMNI-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.47
Rot. Bonds6

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (PubChem CID 75261568) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
PubChem CID75261568
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)C2CC(c3ccccn3)NN2)C1
InChIInChI=1S/C19H31N5O/c1-14-10-15(2)13-24(12-14)9-5-8-21-19(25)18-11-17(22-23-18)16-6-3-4-7-20-16/h3-4,6-7,14-15,17-18,22-23H,5,8-13H2,1-2H3,(H,21,25)
InChIKeyXRIOGKVMEGEMNI-UHFFFAOYSA-N
XLogP1.47
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261448
N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134126384
N-(4-acetamidophenyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75188084
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55735230
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 28570491
5-(4-bromophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolidine-3-carboxamide
CID 52987338
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134127942
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111432382
5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
CID 75272192
5-(3-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolidine-3-carboxamide
CID 74625271
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 134064167
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (CID 75261568) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is CC1CC(C)CN(CCCNC(=O)C2CC(c3ccccn3)NN2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is XRIOGKVMEGEMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14-10-15(2)13-24(12-14)9-5-8-21-19(25)18-11-17(22-23-18)16-6-3-4-7-20-16/h3-4,6-7,14-15,17-18,22-23H,5,8-13H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75261568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).