N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide

C22H23N7O2 — CID 56835800

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1noc(-c2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc2)n1
InChIInChI=1S/C22H23N7O2/c1-13-8-20(23)26-14(2)19(13)10-24-21(30)18-9-25-29(12-18)11-16-4-6-17(7-5-16)22-27-15(3)28-31-22/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,24,30)
InChIKeyHIKVSELABJYTAG-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.81
Rot. Bonds6

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 56835800) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID56835800
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1noc(-c2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc2)n1
InChIInChI=1S/C22H23N7O2/c1-13-8-20(23)26-14(2)19(13)10-24-21(30)18-9-25-29(12-18)11-16-4-6-17(7-5-16)22-27-15(3)28-31-22/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,24,30)
InChIKeyHIKVSELABJYTAG-UHFFFAOYSA-N
XLogP2.81
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 56835800) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide is Cc1noc(-c2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is HIKVSELABJYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-13-8-20(23)26-14(2)19(13)10-24-21(30)18-9-25-29(12-18)11-16-4-6-17(7-5-16)22-27-15(3)28-31-22/h4-9,12H,10-11H2,1-3H3,(H2,23,26)(H,24,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56835800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).