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

C23H23N5O — CID 56836859

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23N5O/c1-15-9-22(24)27-16(2)21(15)12-25-23(29)20-11-26-28(14-20)13-17-7-8-18-5-3-4-6-19(18)10-17/h3-11,14H,12-13H2,1-2H3,(H2,24,27)(H,25,29)
InChIKeyVWGVJQZHMBOLSQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.61
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 56836859) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID56836859
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23N5O/c1-15-9-22(24)27-16(2)21(15)12-25-23(29)20-11-26-28(14-20)13-17-7-8-18-5-3-4-6-19(18)10-17/h3-11,14H,12-13H2,1-2H3,(H2,24,27)(H,25,29)
InChIKeyVWGVJQZHMBOLSQ-UHFFFAOYSA-N
XLogP3.61
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide (CID 56836859) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is VWGVJQZHMBOLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-9-22(24)27-16(2)21(15)12-25-23(29)20-11-26-28(14-20)13-17-7-8-18-5-3-4-6-19(18)10-17/h3-11,14H,12-13H2,1-2H3,(H2,24,27)(H,25,29).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56836859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).