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

C17H20N4O — CID 75975474

IUPACN-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(c3cccnc3)NN2)cc1C
InChIInChI=1S/C17H20N4O/c1-11-5-6-14(8-12(11)2)19-17(22)16-9-15(20-21-16)13-4-3-7-18-10-13/h3-8,10,15-16,20-21H,9H2,1-2H3,(H,19,22)
InChIKeyOJDUSQGCUNGBRK-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.24
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide (PubChem CID 75975474) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
PubChem CID75975474
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(c3cccnc3)NN2)cc1C
InChIInChI=1S/C17H20N4O/c1-11-5-6-14(8-12(11)2)19-17(22)16-9-15(20-21-16)13-4-3-7-18-10-13/h3-8,10,15-16,20-21H,9H2,1-2H3,(H,19,22)
InChIKeyOJDUSQGCUNGBRK-UHFFFAOYSA-N
XLogP2.24
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75972765
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
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-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 134086275
5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide
CID 134086325
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975429
N-(3,4-dimethylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
CID 4568758
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide (CID 75975474) is N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(c3cccnc3)NN2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
The InChIKey is OJDUSQGCUNGBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-5-6-14(8-12(11)2)19-17(22)16-9-15(20-21-16)13-4-3-7-18-10-13/h3-8,10,15-16,20-21H,9H2,1-2H3,(H,19,22).
What are the key properties of N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide?
N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75975474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).