methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate

C25H26N4O3 — CID 112830752

IUPACmethyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C25H26N4O3/c1-28(20-8-4-3-5-9-20)23-13-11-19(17-26-23)24(30)27-21-16-18(25(31)32-2)10-12-22(21)29-14-6-7-15-29/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,27,30)
InChIKeyXBNMJOLPQNJCPY-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.49
Rot. Bonds6

About methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate

methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate (PubChem CID 112830752) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
PubChem CID112830752
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Namemethyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C25H26N4O3/c1-28(20-8-4-3-5-9-20)23-13-11-19(17-26-23)24(30)27-21-16-18(25(31)32-2)10-12-22(21)29-14-6-7-15-29/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,27,30)
InChIKeyXBNMJOLPQNJCPY-UHFFFAOYSA-N
XLogP4.49
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate 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

methyl 3-[(2-phenyltriazole-4-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 46515124
methyl 3-benzamido-4-(4-methylpiperazin-1-yl)benzoate
CID 6457150
N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 51337606
methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 47021822
methyl 4-pyrrolidin-1-yl-3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 55517601
methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55571972
methyl 3-[(3-nitrobenzoyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55516795
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830348
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate?
The IUPAC name of methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate (CID 112830752) is methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate?
The canonical SMILES for methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate is COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(N(C)c3ccccc3)nc2)c1.
What is the InChIKey of methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate?
The InChIKey is XBNMJOLPQNJCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-28(20-8-4-3-5-9-20)23-13-11-19(17-26-23)24(30)27-21-16-18(25(31)32-2)10-12-22(21)29-14-6-7-15-29/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,27,30).
What are the key properties of methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate?
methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate has a molecular weight of 430.51 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 112830752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).