(1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate

C25H27N5O4 — CID 21034122

IUPAC(1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate
SMILESCOc1cc(C(=O)OC2CCN(Cc3ccccc3)C2)ccc1NC(=O)Nc1cnc(C)cn1
InChIInChI=1S/C25H27N5O4/c1-17-13-27-23(14-26-17)29-25(32)28-21-9-8-19(12-22(21)33-2)24(31)34-20-10-11-30(16-20)15-18-6-4-3-5-7-18/h3-9,12-14,20H,10-11,15-16H2,1-2H3,(H2,27,28,29,32)
InChIKeyULLZEFGJRZHIJR-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.87
Rot. Bonds7

About (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate

(1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate (PubChem CID 21034122) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Name(1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate
PubChem CID21034122
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name(1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate
SMILESCOc1cc(C(=O)OC2CCN(Cc3ccccc3)C2)ccc1NC(=O)Nc1cnc(C)cn1
InChIInChI=1S/C25H27N5O4/c1-17-13-27-23(14-26-17)29-25(32)28-21-9-8-19(12-22(21)33-2)24(31)34-20-10-11-30(16-20)15-18-6-4-3-5-7-18/h3-9,12-14,20H,10-11,15-16H2,1-2H3,(H2,27,28,29,32)
InChIKeyULLZEFGJRZHIJR-UHFFFAOYSA-N
XLogP3.87
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate 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

3-(5-Cyanopyrazin-2-yl)-1-(4-formyl-2-methoxyphenyl)urea
CID 23646824
N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
CID 146681132
Ethyl 4-[(3-benzyloxy-2-pyridyl)carbamoylamino]benzoate
CID 11516665
4-(1H-imidazol-1-yl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 11568232
4-[(3-Benzyloxy-2-pyridyl)carbamoylamino]benzoic acid
CID 11588606
N-[4-[3-(3-Methoxyphenyl)piperazin-1-yl]propyl]-4-(1Himidazol-1-yl)benzamide
CID 44589175
Methyl 4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoylamino]benzoate
CID 71574661
N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 72544408
2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)styryl)quinazolin-4(3H)-one
CID 135910326
1-[4-[2-(Benzylamino)ethyl]-2-methoxyphenyl]-3-(5-methylpyrazin-2-yl)urea
CID 54597129
Csnk2A-IN-1
CID 169503067
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 70687593

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate?
The IUPAC name of (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate (CID 21034122) is (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate.
What is the SMILES notation for (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate?
The canonical SMILES for (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate is COc1cc(C(=O)OC2CCN(Cc3ccccc3)C2)ccc1NC(=O)Nc1cnc(C)cn1.
What is the InChIKey of (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate?
The InChIKey is ULLZEFGJRZHIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-17-13-27-23(14-26-17)29-25(32)28-21-9-8-19(12-22(21)33-2)24(31)34-20-10-11-30(16-20)15-18-6-4-3-5-7-18/h3-9,12-14,20H,10-11,15-16H2,1-2H3,(H2,27,28,29,32).
What are the key properties of (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate?
(1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate has a molecular weight of 461.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-3-yl) 3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzoate is sourced from PubChem (CID 21034122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).