2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide

C16H21N5O2 — CID 22196447

IUPAC2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide
SMILESCc1c(CN(C)CC(=O)Nc2ccccc2C(N)=O)cnn1C
InChIInChI=1S/C16H21N5O2/c1-11-12(8-18-21(11)3)9-20(2)10-15(22)19-14-7-5-4-6-13(14)16(17)23/h4-8H,9-10H2,1-3H3,(H2,17,23)(H,19,22)
InChIKeyFBGYLIPHBZXVHS-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.90
Rot. Bonds6

About 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide

2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide (PubChem CID 22196447) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide
PubChem CID22196447
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide
SMILESCc1c(CN(C)CC(=O)Nc2ccccc2C(N)=O)cnn1C
InChIInChI=1S/C16H21N5O2/c1-11-12(8-18-21(11)3)9-20(2)10-15(22)19-14-7-5-4-6-13(14)16(17)23/h4-8H,9-10H2,1-3H3,(H2,17,23)(H,19,22)
InChIKeyFBGYLIPHBZXVHS-UHFFFAOYSA-N
XLogP0.90
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 17378412
2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 22196432
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
methyl 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 22196471
N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196482
N-(1,5-dimethylpyrazol-4-yl)-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 134702432
2-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 18135121
2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22196371
2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 18136049
ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 2442863
dimethyl 5-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 22196393
N-(2-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436860

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide (CID 22196447) is 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide is Cc1c(CN(C)CC(=O)Nc2ccccc2C(N)=O)cnn1C.
What is the InChIKey of 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide?
The InChIKey is FBGYLIPHBZXVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-12(8-18-21(11)3)9-20(2)10-15(22)19-14-7-5-4-6-13(14)16(17)23/h4-8H,9-10H2,1-3H3,(H2,17,23)(H,19,22).
What are the key properties of 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide?
2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide has a molecular weight of 315.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 22196447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).