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

C20H20N6O — CID 56836862

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H20N6O/c1-13-7-19(22)25-14(2)18(13)10-23-20(27)17-9-24-26(12-17)11-16-5-3-15(8-21)4-6-16/h3-7,9,12H,10-11H2,1-2H3,(H2,22,25)(H,23,27)
InChIKeyOMKHCIFLCNZFGN-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.33
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 56836862) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide
PubChem CID56836862
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H20N6O/c1-13-7-19(22)25-14(2)18(13)10-23-20(27)17-9-24-26(12-17)11-16-5-3-15(8-21)4-6-16/h3-7,9,12H,10-11H2,1-2H3,(H2,22,25)(H,23,27)
InChIKeyOMKHCIFLCNZFGN-UHFFFAOYSA-N
XLogP2.33
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.33
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-cyanophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide (CID 56836862) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(C#N)cc2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is OMKHCIFLCNZFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-7-19(22)25-14(2)18(13)10-23-20(27)17-9-24-26(12-17)11-16-5-3-15(8-21)4-6-16/h3-7,9,12H,10-11H2,1-2H3,(H2,22,25)(H,23,27).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-cyanophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56836862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).