3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide

C19H19N5O2 — CID 75523152

IUPAC3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cccn3)nc2)cc1C
InChIInChI=1S/C19H19N5O2/c1-13-4-5-15(10-14(13)2)19(26)21-12-18(25)23-16-6-7-17(20-11-16)24-9-3-8-22-24/h3-11H,12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyONTBJKCIQSMCRM-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.25
Rot. Bonds5

About 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide

3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide (PubChem CID 75523152) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide
PubChem CID75523152
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cccn3)nc2)cc1C
InChIInChI=1S/C19H19N5O2/c1-13-4-5-15(10-14(13)2)19(26)21-12-18(25)23-16-6-7-17(20-11-16)24-9-3-8-22-24/h3-11H,12H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyONTBJKCIQSMCRM-UHFFFAOYSA-N
XLogP2.25
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60841807
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 79285864
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
CID 103754177
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18106925
5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 78948608
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 110745069

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide (CID 75523152) is 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(-n3cccn3)nc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide?
The InChIKey is ONTBJKCIQSMCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-4-5-15(10-14(13)2)19(26)21-12-18(25)23-16-6-7-17(20-11-16)24-9-3-8-22-24/h3-11H,12H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide?
3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide is sourced from PubChem (CID 75523152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).