N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide

C20H23N5O3 — CID 71111476

IUPACN-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCOCCCOc1ccccc1-c1ccc(NC(=O)c2ccnn2C)nc1N
InChIInChI=1S/C20H23N5O3/c1-25-16(10-11-22-25)20(26)24-18-9-8-15(19(21)23-18)14-6-3-4-7-17(14)28-13-5-12-27-2/h3-4,6-11H,5,12-13H2,1-2H3,(H3,21,23,24,26)
InChIKeyWUWBHQVKPFBJHK-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.73
Rot. Bonds8

About N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide

N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide (PubChem CID 71111476) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
PubChem CID71111476
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide
SMILESCOCCCOc1ccccc1-c1ccc(NC(=O)c2ccnn2C)nc1N
InChIInChI=1S/C20H23N5O3/c1-25-16(10-11-22-25)20(26)24-18-9-8-15(19(21)23-18)14-6-3-4-7-17(14)28-13-5-12-27-2/h3-4,6-11H,5,12-13H2,1-2H3,(H3,21,23,24,26)
InChIKeyWUWBHQVKPFBJHK-UHFFFAOYSA-N
XLogP2.73
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide (CID 71111476) is N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide is COCCCOc1ccccc1-c1ccc(NC(=O)c2ccnn2C)nc1N.
What is the InChIKey of N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is WUWBHQVKPFBJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-25-16(10-11-22-25)20(26)24-18-9-8-15(19(21)23-18)14-6-3-4-7-17(14)28-13-5-12-27-2/h3-4,6-11H,5,12-13H2,1-2H3,(H3,21,23,24,26).
What are the key properties of N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide?
N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[2-(3-methoxypropoxy)phenyl]-2-pyridinyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71111476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).