N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide

C24H24N6O — CID 66723687

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C24H24N6O/c1-16-11-23(25)29-17(2)22(16)13-27-24(31)21-12-28-30(15-21)14-18-3-5-19(6-4-18)20-7-9-26-10-8-20/h3-12,15H,13-14H2,1-2H3,(H2,25,29)(H,27,31)
InChIKeyKCGGXHJBWUPJKT-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.52
Rot. Bonds6

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 66723687) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID66723687
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C24H24N6O/c1-16-11-23(25)29-17(2)22(16)13-27-24(31)21-12-28-30(15-21)14-18-3-5-19(6-4-18)20-7-9-26-10-8-20/h3-12,15H,13-14H2,1-2H3,(H2,25,29)(H,27,31)
InChIKeyKCGGXHJBWUPJKT-UHFFFAOYSA-N
XLogP3.52
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide (CID 66723687) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is KCGGXHJBWUPJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-16-11-23(25)29-17(2)22(16)13-27-24(31)21-12-28-30(15-21)14-18-3-5-19(6-4-18)20-7-9-26-10-8-20/h3-12,15H,13-14H2,1-2H3,(H2,25,29)(H,27,31).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-pyridin-4-ylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 66723687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).