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

C20H23N5O — CID 56835860

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(C(C)c2ccccc2)c1
InChIInChI=1S/C20H23N5O/c1-13-9-19(21)24-14(2)18(13)11-22-20(26)17-10-23-25(12-17)15(3)16-7-5-4-6-8-16/h4-10,12,15H,11H2,1-3H3,(H2,21,24)(H,22,26)
InChIKeyDTLRUZKFZYHOBO-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.02
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide (PubChem CID 56835860) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide
PubChem CID56835860
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(C(C)c2ccccc2)c1
InChIInChI=1S/C20H23N5O/c1-13-9-19(21)24-14(2)18(13)11-22-20(26)17-10-23-25(12-17)15(3)16-7-5-4-6-8-16/h4-10,12,15H,11H2,1-3H3,(H2,21,24)(H,22,26)
InChIKeyDTLRUZKFZYHOBO-UHFFFAOYSA-N
XLogP3.02
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)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-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide (CID 56835860) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(C(C)c2ccccc2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is DTLRUZKFZYHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-9-19(21)24-14(2)18(13)11-22-20(26)17-10-23-25(12-17)15(3)16-7-5-4-6-8-16/h4-10,12,15H,11H2,1-3H3,(H2,21,24)(H,22,26).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.02, 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-(1-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56835860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).