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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Related Compounds

N-[(6-Amino-2,4-Dimethylpyridin-3-Yl)methyl]-1-({4-[(1h-Pyrazol-1-Yl)methyl]phenyl}methyl)-1h-Pyrazole-4-Carboxamide
CID 58081298
3-((2-Amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-chlorophenyl)-4-methylbenzamide
CID 145996526
US9533987, example 31
CID 86344746
N-(2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 129103433
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3-chlorophenyl)-4-methylbenzamide
CID 155513098
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3,4-dichlorophenyl)-4-methylbenzamide
CID 155521063
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 56836410
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 58081164
N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 58081243
tert-Butyl 5-((1-((3-chloroquinolin-6-yl)methyl)-1H-pyrazole-4-carboxamido)methyl)-4,6-dimethylpyridin-2-ylcarbamate
CID 58081248
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 58081264
US9533987, example 76
CID 86343086

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).