N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C24H23ClN6O2 — CID 58081243

IUPACN-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C24H23ClN6O2/c1-16-20(21(25)10-22(26)29-16)12-27-24(33)19-11-28-31(15-19)14-18-7-5-17(6-8-18)13-30-9-3-2-4-23(30)32/h2-11,15H,12-14H2,1H3,(H2,26,29)(H,27,33)
InChIKeyVAWBDPGLZYEYPL-UHFFFAOYSA-N
MW462.94 g/mol
LogP3.01
Rot. Bonds7

About N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide

N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 58081243) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID58081243
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC NameN-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C24H23ClN6O2/c1-16-20(21(25)10-22(26)29-16)12-27-24(33)19-11-28-31(15-19)14-18-7-5-17(6-8-18)13-30-9-3-2-4-23(30)32/h2-11,15H,12-14H2,1H3,(H2,26,29)(H,27,33)
InChIKeyVAWBDPGLZYEYPL-UHFFFAOYSA-N
XLogP3.01
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 58081243) is N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1.
What is the InChIKey of N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is VAWBDPGLZYEYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-16-20(21(25)10-22(26)29-16)12-27-24(33)19-11-28-31(15-19)14-18-7-5-17(6-8-18)13-30-9-3-2-4-23(30)32/h2-11,15H,12-14H2,1H3,(H2,26,29)(H,27,33).
What are the key properties of N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 462.94 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58081243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).