2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide

C23H27N3O2 — CID 55971773

IUPAC2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(COC(C)C)c2)c(C)n1-c1cccnc1
InChIInChI=1S/C23H27N3O2/c1-16(2)28-15-20-8-5-7-19(12-20)13-25-23(27)22-11-17(3)26(18(22)4)21-9-6-10-24-14-21/h5-12,14,16H,13,15H2,1-4H3,(H,25,27)
InChIKeyVSFRWBOIPKAEJH-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.34
Rot. Bonds7

About 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide

2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 55971773) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID55971773
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(COC(C)C)c2)c(C)n1-c1cccnc1
InChIInChI=1S/C23H27N3O2/c1-16(2)28-15-20-8-5-7-19(12-20)13-25-23(27)22-11-17(3)26(18(22)4)21-9-6-10-24-14-21/h5-12,14,16H,13,15H2,1-4H3,(H,25,27)
InChIKeyVSFRWBOIPKAEJH-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71888436
N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 60550798
2,5-dimethyl-1-pyridin-3-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrole-3-carboxamide
CID 47029958
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71896385
2,5-dimethyl-1-(3-propan-2-ylphenyl)-N-[(3-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 60509128
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55972294
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 95591999
1-(3-methoxyphenyl)-2,5-dimethyl-N-[(4-nitrophenyl)methyl]pyrrole-3-carboxamide
CID 55982368
N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 97003423
3-(2-methoxyphenyl)-1-phenyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55869422
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55678327
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide (CID 55971773) is 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCc2cccc(COC(C)C)c2)c(C)n1-c1cccnc1.
What is the InChIKey of 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is VSFRWBOIPKAEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)28-15-20-8-5-7-19(12-20)13-25-23(27)22-11-17(3)26(18(22)4)21-9-6-10-24-14-21/h5-12,14,16H,13,15H2,1-4H3,(H,25,27).
What are the key properties of 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide?
2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 55971773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).