ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate

C20H24N4O3 — CID 53026940

IUPACethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CC=C(c2cnn(C)c2)CC1
InChIInChI=1S/C20H24N4O3/c1-3-27-20(26)17-6-4-5-7-18(17)22-19(25)14-24-10-8-15(9-11-24)16-12-21-23(2)13-16/h4-8,12-13H,3,9-11,14H2,1-2H3,(H,22,25)
InChIKeyIYRYZGMTCYSXFA-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.32
Rot. Bonds6

About ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate

ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate (PubChem CID 53026940) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate
PubChem CID53026940
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CC=C(c2cnn(C)c2)CC1
InChIInChI=1S/C20H24N4O3/c1-3-27-20(26)17-6-4-5-7-18(17)22-19(25)14-24-10-8-15(9-11-24)16-12-21-23(2)13-16/h4-8,12-13H,3,9-11,14H2,1-2H3,(H,22,25)
InChIKeyIYRYZGMTCYSXFA-UHFFFAOYSA-N
XLogP2.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 50983046
N-(4-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026936
N-(2-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027049
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995538
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylphenyl)acetamide
CID 18125013
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53026951
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8759408
N-(2-bromophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125062
N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 46320901
ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate
CID 90529038
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
N-(2-chloro-4-methylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027038

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate (CID 53026940) is ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN1CC=C(c2cnn(C)c2)CC1.
What is the InChIKey of ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate?
The InChIKey is IYRYZGMTCYSXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-27-20(26)17-6-4-5-7-18(17)22-19(25)14-24-10-8-15(9-11-24)16-12-21-23(2)13-16/h4-8,12-13H,3,9-11,14H2,1-2H3,(H,22,25).
What are the key properties of ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate?
ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate has a molecular weight of 368.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 53026940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).