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

C22H22N6O — CID 58081265

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cnc3ccccc3c2)c1
InChIInChI=1S/C22H22N6O/c1-14-7-21(23)27-15(2)19(14)11-25-22(29)18-10-26-28(13-18)12-16-8-17-5-3-4-6-20(17)24-9-16/h3-10,13H,11-12H2,1-2H3,(H2,23,27)(H,25,29)
InChIKeyRMYXWNNWPXHXJT-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.00
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 58081265) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID58081265
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cnc3ccccc3c2)c1
InChIInChI=1S/C22H22N6O/c1-14-7-21(23)27-15(2)19(14)11-25-22(29)18-10-26-28(13-18)12-16-8-17-5-3-4-6-20(17)24-9-16/h3-10,13H,11-12H2,1-2H3,(H2,23,27)(H,25,29)
InChIKeyRMYXWNNWPXHXJT-UHFFFAOYSA-N
XLogP3.00
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.00
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-(quinolin-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide (CID 58081265) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cnc3ccccc3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is RMYXWNNWPXHXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-7-21(23)27-15(2)19(14)11-25-22(29)18-10-26-28(13-18)12-16-8-17-5-3-4-6-20(17)24-9-16/h3-10,13H,11-12H2,1-2H3,(H2,23,27)(H,25,29).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(quinolin-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.00, 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-(quinolin-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58081265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).