methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

C19H23N3O4 — CID 42823176

IUPACmethyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)CN(Cc2cccnc2)C(C)=O)c(C)n1C
InChIInChI=1S/C19H23N3O4/c1-12-17(13(2)21(4)18(12)19(25)26-5)16(24)11-22(14(3)23)10-15-7-6-8-20-9-15/h6-9H,10-11H2,1-5H3
InChIKeyVYMHDZCJZSVIEP-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.05
Rot. Bonds6

About methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 42823176) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID42823176
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Namemethyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)CN(Cc2cccnc2)C(C)=O)c(C)n1C
InChIInChI=1S/C19H23N3O4/c1-12-17(13(2)21(4)18(12)19(25)26-5)16(24)11-22(14(3)23)10-15-7-6-8-20-9-15/h6-9H,10-11H2,1-5H3
InChIKeyVYMHDZCJZSVIEP-UHFFFAOYSA-N
XLogP2.05
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-[(4-methoxybenzoyl)-(pyridin-4-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42823171
methyl 4-[2-[(3-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677550
methyl 4-[2-[furan-2-ylmethyl(propanoyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675864
ethyl 1,3,5-trimethyl-4-[2-[propan-2-ylcarbamoyl(pyridin-3-ylmethyl)amino]propanoyl]pyrrole-2-carboxylate
CID 42679989
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
methyl 4-[2-[(4-chlorobenzoyl)-(2-pyridin-2-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42676898
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113163658
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113163569
methyl 4-[2-[(4-chlorobenzoyl)-(3-methylbutyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677021
methyl 1,3,5-trimethyl-4-[2-[(4-methylbenzoyl)-(oxolan-2-ylmethyl)amino]acetyl]pyrrole-2-carboxylate
CID 42676988
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113161783

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 42823176) is methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is COC(=O)c1c(C)c(C(=O)CN(Cc2cccnc2)C(C)=O)c(C)n1C.
What is the InChIKey of methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is VYMHDZCJZSVIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-17(13(2)21(4)18(12)19(25)26-5)16(24)11-22(14(3)23)10-15-7-6-8-20-9-15/h6-9H,10-11H2,1-5H3.
What are the key properties of methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[acetyl(pyridin-3-ylmethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 42823176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).