2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C17H23N5O2 — CID 75377944

IUPAC2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCC(=O)N(C)Cc1ccccc1NCC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C17H23N5O2/c1-12-9-16(22(4)20-12)19-17(24)10-18-15-8-6-5-7-14(15)11-21(3)13(2)23/h5-9,18H,10-11H2,1-4H3,(H,19,24)
InChIKeyBCSBLTXRESQEIW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.76
Rot. Bonds6

About 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 75377944) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID75377944
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCC(=O)N(C)Cc1ccccc1NCC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C17H23N5O2/c1-12-9-16(22(4)20-12)19-17(24)10-18-15-8-6-5-7-14(15)11-21(3)13(2)23/h5-9,18H,10-11H2,1-4H3,(H,19,24)
InChIKeyBCSBLTXRESQEIW-UHFFFAOYSA-N
XLogP1.76
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
2-[3-chloro-2-(propan-2-ylamino)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 71855099
N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
CID 66409381
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylanilino)acetamide
CID 86913432
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-6-methylpyridine-2-carboxamide
CID 39277115
N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692106
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide
CID 62832902
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide
CID 71858055
4-chloro-2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 71922694
N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide
CID 71922693

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 75377944) is 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is CC(=O)N(C)Cc1ccccc1NCC(=O)Nc1cc(C)nn1C.
What is the InChIKey of 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is BCSBLTXRESQEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-9-16(22(4)20-12)19-17(24)10-18-15-8-6-5-7-14(15)11-21(3)13(2)23/h5-9,18H,10-11H2,1-4H3,(H,19,24).
What are the key properties of 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[acetyl(methyl)amino]methyl]anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 75377944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).