N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide

C20H22N4O2 — CID 118791459

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)c1ccc(-c2cccc(=O)[nH]2)cc1
InChIInChI=1S/C20H22N4O2/c1-13-17(14(2)24-23-13)5-4-12-21-20(26)16-10-8-15(9-11-16)18-6-3-7-19(25)22-18/h3,6-11H,4-5,12H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)
InChIKeyRDOMEGFBUXHXBN-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.74
Rot. Bonds6

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide (PubChem CID 118791459) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide
PubChem CID118791459
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)c1ccc(-c2cccc(=O)[nH]2)cc1
InChIInChI=1S/C20H22N4O2/c1-13-17(14(2)24-23-13)5-4-12-21-20(26)16-10-8-15(9-11-16)18-6-3-7-19(25)22-18/h3,6-11H,4-5,12H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)
InChIKeyRDOMEGFBUXHXBN-UHFFFAOYSA-N
XLogP2.74
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
CID 122568538
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72936927
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
CID 50958341
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide
CID 126440416
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 91761757
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide
CID 119059144
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717101
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 1460215
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126828084

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide (CID 118791459) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide is Cc1n[nH]c(C)c1CCCNC(=O)c1ccc(-c2cccc(=O)[nH]2)cc1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide?
The InChIKey is RDOMEGFBUXHXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-17(14(2)24-23-13)5-4-12-21-20(26)16-10-8-15(9-11-16)18-6-3-7-19(25)22-18/h3,6-11H,4-5,12H2,1-2H3,(H,21,26)(H,22,25)(H,23,24).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide is sourced from PubChem (CID 118791459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).