N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide

C13H20N4O — CID 77014726

IUPACN,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide
SMILESCC1NNCC1C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H20N4O/c1-9-12(8-15-16-9)13(18)17(3)10(2)11-4-6-14-7-5-11/h4-7,9-10,12,15-16H,8H2,1-3H3
InChIKeyYJKWZANVYVNCKU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.71
Rot. Bonds3

About N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide

N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide (PubChem CID 77014726) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide
PubChem CID77014726
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide
SMILESCC1NNCC1C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H20N4O/c1-9-12(8-15-16-9)13(18)17(3)10(2)11-4-6-14-7-5-11/h4-7,9-10,12,15-16H,8H2,1-3H3
InChIKeyYJKWZANVYVNCKU-UHFFFAOYSA-N
XLogP0.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-dimethyl-N-(1-pyridin-4-ylethyl)piperidine-2-carboxamide
CID 107067802
2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43579997
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841
N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388766
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
N-methyl-6-oxo-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54877505
N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 114997863

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide (CID 77014726) is N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide is CC1NNCC1C(=O)N(C)C(C)c1ccncc1.
What is the InChIKey of N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide?
The InChIKey is YJKWZANVYVNCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-12(8-15-16-9)13(18)17(3)10(2)11-4-6-14-7-5-11/h4-7,9-10,12,15-16H,8H2,1-3H3.
What are the key properties of N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide?
N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(1-pyridin-4-ylethyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 77014726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).