N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide

C17H20N4O3 — CID 75975396

IUPACN-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccncc3)NN2)cc1OC
InChIInChI=1S/C17H20N4O3/c1-23-15-4-3-12(9-16(15)24-2)19-17(22)14-10-13(20-21-14)11-5-7-18-8-6-11/h3-9,13-14,20-21H,10H2,1-2H3,(H,19,22)
InChIKeyPRNXLXRSDLPXCE-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.65
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide

N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 75975396) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID75975396
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccncc3)NN2)cc1OC
InChIInChI=1S/C17H20N4O3/c1-23-15-4-3-12(9-16(15)24-2)19-17(22)14-10-13(20-21-14)11-5-7-18-8-6-11/h3-9,13-14,20-21H,10H2,1-2H3,(H,19,22)
InChIKeyPRNXLXRSDLPXCE-UHFFFAOYSA-N
XLogP1.65
TPSA84.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75972765
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975401
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525
5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75975436
5-(3,4-dimethoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)pyrazolidine-3-carboxamide
CID 134126389
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975429
N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75975474
N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75973429
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 75975396) is N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(c3ccncc3)NN2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is PRNXLXRSDLPXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-4-3-12(9-16(15)24-2)19-17(22)14-10-13(20-21-14)11-5-7-18-8-6-11/h3-9,13-14,20-21H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75975396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).