N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide

C20H22N4O — CID 119065620

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1cccc(C(=O)N(C)Cc2cn(C)nc2C)c1
InChIInChI=1S/C20H22N4O/c1-14-11-21-9-8-19(14)16-6-5-7-17(10-16)20(25)23(3)12-18-13-24(4)22-15(18)2/h5-11,13H,12H2,1-4H3
InChIKeyYJEYRVYSHHZHFY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.37
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide (PubChem CID 119065620) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide
PubChem CID119065620
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide
SMILESCc1cnccc1-c1cccc(C(=O)N(C)Cc2cn(C)nc2C)c1
InChIInChI=1S/C20H22N4O/c1-14-11-21-9-8-19(14)16-6-5-7-17(10-16)20(25)23(3)12-18-13-24(4)22-15(18)2/h5-11,13H,12H2,1-4H3
InChIKeyYJEYRVYSHHZHFY-UHFFFAOYSA-N
XLogP3.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide (CID 119065620) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide is Cc1cnccc1-c1cccc(C(=O)N(C)Cc2cn(C)nc2C)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is YJEYRVYSHHZHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-11-21-9-8-19(14)16-6-5-7-17(10-16)20(25)23(3)12-18-13-24(4)22-15(18)2/h5-11,13H,12H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 119065620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).