N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide

C24H26N6O — CID 58081359

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(C)c2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)c(C)nc2c1
InChIInChI=1S/C24H26N6O/c1-14-7-15(2)21-9-19(17(4)28-22(21)8-14)12-30-13-20(11-27-30)24(31)26-10-18-5-6-23(25)29-16(18)3/h5-9,11,13H,10,12H2,1-4H3,(H2,25,29)(H,26,31)
InChIKeyLVJONVYRGYYEGZ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.62
Rot. Bonds5

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 58081359) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID58081359
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(C)c2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)c(C)nc2c1
InChIInChI=1S/C24H26N6O/c1-14-7-15(2)21-9-19(17(4)28-22(21)8-14)12-30-13-20(11-27-30)24(31)26-10-18-5-6-23(25)29-16(18)3/h5-9,11,13H,10,12H2,1-4H3,(H2,25,29)(H,26,31)
InChIKeyLVJONVYRGYYEGZ-UHFFFAOYSA-N
XLogP3.62
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)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-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide (CID 58081359) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide is Cc1cc(C)c2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)c(C)nc2c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is LVJONVYRGYYEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-14-7-15(2)21-9-19(17(4)28-22(21)8-14)12-30-13-20(11-27-30)24(31)26-10-18-5-6-23(25)29-16(18)3/h5-9,11,13H,10,12H2,1-4H3,(H2,25,29)(H,26,31).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58081359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).