N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C21H27N5O3 — CID 120754631

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C21H27N5O3/c1-25(14-20(27)24-17-6-3-7-18(11-17)29-2)21(28)15-26-10-9-23-13-19(26)16-5-4-8-22-12-16/h3-8,11-12,19,23H,9-10,13-15H2,1-2H3,(H,24,27)
InChIKeyGJDHINCGQRHGAF-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.13
Rot. Bonds7

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120754631) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120754631
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C21H27N5O3/c1-25(14-20(27)24-17-6-3-7-18(11-17)29-2)21(28)15-26-10-9-23-13-19(26)16-5-4-8-22-12-16/h3-8,11-12,19,23H,9-10,13-15H2,1-2H3,(H,24,27)
InChIKeyGJDHINCGQRHGAF-UHFFFAOYSA-N
XLogP1.13
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755324
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755033
2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 55840649
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754464
2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 95349532
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 60513329

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120754631) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is COc1cccc(NC(=O)CN(C)C(=O)CN2CCNCC2c2cccnc2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is GJDHINCGQRHGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-25(14-20(27)24-17-6-3-7-18(11-17)29-2)21(28)15-26-10-9-23-13-19(26)16-5-4-8-22-12-16/h3-8,11-12,19,23H,9-10,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120754631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).