N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide

C22H24N4O2 — CID 51266478

IUPACN-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-25(15-17-14-23-26(2)16-17)21(27)13-20(18-9-5-3-6-10-18)24-22(28)19-11-7-4-8-12-19/h3-12,14,16,20H,13,15H2,1-2H3,(H,24,28)
InChIKeyYADGIRHGCCGYQE-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.94
Rot. Bonds7

About N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 51266478) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID51266478
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-25(15-17-14-23-26(2)16-17)21(27)13-20(18-9-5-3-6-10-18)24-22(28)19-11-7-4-8-12-19/h3-12,14,16,20H,13,15H2,1-2H3,(H,24,28)
InChIKeyYADGIRHGCCGYQE-UHFFFAOYSA-N
XLogP2.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46612416
3-(4-hydroxy-1-phenylbutyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 111456188
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31846058
1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 30302557
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 18098156
N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197
4-[(3-benzamido-3-phenylpropanoyl)-methylamino]butanoic acid
CID 119173149
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 51266478) is N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide is CN(Cc1cnn(C)c1)C(=O)CC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is YADGIRHGCCGYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25(15-17-14-23-26(2)16-17)21(27)13-20(18-9-5-3-6-10-18)24-22(28)19-11-7-4-8-12-19/h3-12,14,16,20H,13,15H2,1-2H3,(H,24,28).
What are the key properties of N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 51266478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).