ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate

C20H24N4O3 — CID 113029292

IUPACethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)nc2)CC1
InChIInChI=1S/C20H24N4O3/c1-3-27-20(26)24-12-10-23(11-13-24)17-8-9-18(21-14-17)22-19(25)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,21,22,25)
InChIKeyOZSYLXMTSPDDLE-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.92
Rot. Bonds4

About ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 113029292) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
PubChem CID113029292
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)nc2)CC1
InChIInChI=1S/C20H24N4O3/c1-3-27-20(26)24-12-10-23(11-13-24)17-8-9-18(21-14-17)22-19(25)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,21,22,25)
InChIKeyOZSYLXMTSPDDLE-UHFFFAOYSA-N
XLogP2.92
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate 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

4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
ethyl 4-[6-(ethylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029329
ethyl 4-[4-[(4-chlorobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 112984401
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
4-[(4-methylphenyl)sulfonylmethyl]-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 78899579
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652
ethyl 4-[6-(thiophen-2-ylsulfonylamino)-3-pyridinyl]piperazine-1-carboxylate
CID 113029334
ethyl 4-[5-(4-acetylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109187379
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
3-ethoxy-N-[5-(4-prop-2-enoylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 172888045
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate (CID 113029292) is ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)nc2)CC1.
What is the InChIKey of ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is OZSYLXMTSPDDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-27-20(26)24-12-10-23(11-13-24)17-8-9-18(21-14-17)22-19(25)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,21,22,25).
What are the key properties of ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-[(4-methylbenzoyl)amino]-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 113029292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).