N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide

C20H21N5O2 — CID 137425519

IUPACN-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide
SMILESCNC(=O)c1ccc(C(NC)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C20H21N5O2/c1-21-18(14-3-5-15(6-4-14)19(26)22-2)20(27)25-17-9-7-13(8-10-17)16-11-23-24-12-16/h3-12,18,21H,1-2H3,(H,22,26)(H,23,24)(H,25,27)
InChIKeyQXKIFZGYMPVUGL-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.34
Rot. Bonds6

About N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide

N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide (PubChem CID 137425519) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide
PubChem CID137425519
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide
SMILESCNC(=O)c1ccc(C(NC)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C20H21N5O2/c1-21-18(14-3-5-15(6-4-14)19(26)22-2)20(27)25-17-9-7-13(8-10-17)16-11-23-24-12-16/h3-12,18,21H,1-2H3,(H,22,26)(H,23,24)(H,25,27)
InChIKeyQXKIFZGYMPVUGL-UHFFFAOYSA-N
XLogP2.34
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide?
The IUPAC name of N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide (CID 137425519) is N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide.
What is the SMILES notation for N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide?
The canonical SMILES for N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide is CNC(=O)c1ccc(C(NC)C(=O)Nc2ccc(-c3cn[nH]c3)cc2)cc1.
What is the InChIKey of N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide?
The InChIKey is QXKIFZGYMPVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-21-18(14-3-5-15(6-4-14)19(26)22-2)20(27)25-17-9-7-13(8-10-17)16-11-23-24-12-16/h3-12,18,21H,1-2H3,(H,22,26)(H,23,24)(H,25,27).
What are the key properties of N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide?
N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(methylamino)-2-oxo-2-[4-(1H-pyrazol-4-yl)anilino]ethyl]benzamide is sourced from PubChem (CID 137425519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).