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

C22H20ClN5O — CID 58081244

IUPACN-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H20ClN5O/c1-14-19(20(23)9-21(24)27-14)11-25-22(29)18-10-26-28(13-18)12-15-6-7-16-4-2-3-5-17(16)8-15/h2-10,13H,11-12H2,1H3,(H2,24,27)(H,25,29)
InChIKeyOGGNUGUPULLVNE-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.95
Rot. Bonds5

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

N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 58081244) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID58081244
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC NameN-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C22H20ClN5O/c1-14-19(20(23)9-21(24)27-14)11-25-22(29)18-10-26-28(13-18)12-15-6-7-16-4-2-3-5-17(16)8-15/h2-10,13H,11-12H2,1H3,(H2,24,27)(H,25,29)
InChIKeyOGGNUGUPULLVNE-UHFFFAOYSA-N
XLogP3.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide (CID 58081244) is N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide is Cc1nc(N)cc(Cl)c1CNC(=O)c1cnn(Cc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is OGGNUGUPULLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-14-19(20(23)9-21(24)27-14)11-25-22(29)18-10-26-28(13-18)12-15-6-7-16-4-2-3-5-17(16)8-15/h2-10,13H,11-12H2,1H3,(H2,24,27)(H,25,29).
What are the key properties of N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58081244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).