N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide

C21H25N5O — CID 10570712

IUPACN-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide
SMILESCN(CCCCNCc1cccc(-n2cccn2)n1)C(=O)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-25(21(27)18-9-3-2-4-10-18)15-6-5-13-22-17-19-11-7-12-20(24-19)26-16-8-14-23-26/h2-4,7-12,14,16,22H,5-6,13,15,17H2,1H3
InChIKeyIBERUOXZMOJOFS-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.91
Rot. Bonds9

About N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide

N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide (PubChem CID 10570712) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide
PubChem CID10570712
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC NameN-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide
SMILESCN(CCCCNCc1cccc(-n2cccn2)n1)C(=O)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-25(21(27)18-9-3-2-4-10-18)15-6-5-13-22-17-19-11-7-12-20(24-19)26-16-8-14-23-26/h2-4,7-12,14,16,22H,5-6,13,15,17H2,1H3
InChIKeyIBERUOXZMOJOFS-UHFFFAOYSA-N
XLogP2.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide?
The IUPAC name of N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide (CID 10570712) is N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide.
What is the SMILES notation for N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide?
The canonical SMILES for N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide is CN(CCCCNCc1cccc(-n2cccn2)n1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide?
The InChIKey is IBERUOXZMOJOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25(21(27)18-9-3-2-4-10-18)15-6-5-13-22-17-19-11-7-12-20(24-19)26-16-8-14-23-26/h2-4,7-12,14,16,22H,5-6,13,15,17H2,1H3.
What are the key properties of N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide?
N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide is sourced from PubChem (CID 10570712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).