methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate

C25H29N3O4 — CID 55838885

IUPACmethyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C25H29N3O4/c1-5-7-21-22(25(30)31-4)17(3)27-23(21)24(29)28-16(2)19-9-11-20(12-10-19)32-15-18-8-6-13-26-14-18/h6,8-14,16,27H,5,7,15H2,1-4H3,(H,28,29)
InChIKeyKPUYNKSDMRSBTA-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.53
Rot. Bonds9

About methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate

methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 55838885) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID55838885
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Namemethyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)[nH]c(C)c1C(=O)OC
InChIInChI=1S/C25H29N3O4/c1-5-7-21-22(25(30)31-4)17(3)27-23(21)24(29)28-16(2)19-9-11-20(12-10-19)32-15-18-8-6-13-26-14-18/h6,8-14,16,27H,5,7,15H2,1-4H3,(H,28,29)
InChIKeyKPUYNKSDMRSBTA-UHFFFAOYSA-N
XLogP4.53
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

4-bromo-5-propan-2-yl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 56567640
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 51658233
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46470536
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 97020773

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate (CID 55838885) is methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate is CCCc1c(C(=O)NC(C)c2ccc(OCc3cccnc3)cc2)[nH]c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is KPUYNKSDMRSBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-5-7-21-22(25(30)31-4)17(3)27-23(21)24(29)28-16(2)19-9-11-20(12-10-19)32-15-18-8-6-13-26-14-18/h6,8-14,16,27H,5,7,15H2,1-4H3,(H,28,29).
What are the key properties of methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 435.52 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-propyl-5-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylcarbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55838885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).