2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid

C14H16N2O2 — CID 114954674

IUPAC2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid
SMILESCc1ccncc1Cn1c(C)cc(C(=O)O)c1C
InChIInChI=1S/C14H16N2O2/c1-9-4-5-15-7-12(9)8-16-10(2)6-13(11(16)3)14(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeySEOIDMKFBVLOCU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.55
Rot. Bonds3

About 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid

2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid (PubChem CID 114954674) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid
PubChem CID114954674
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid
SMILESCc1ccncc1Cn1c(C)cc(C(=O)O)c1C
InChIInChI=1S/C14H16N2O2/c1-9-4-5-15-7-12(9)8-16-10(2)6-13(11(16)3)14(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeySEOIDMKFBVLOCU-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrol-3-yl]propan-1-one
CID 114957176
2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carbaldehyde
CID 114956284
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 29037309
3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 114956383
1-[(4-methyl-3-pyridinyl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 114957834
1-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 118871370
1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 5311555
1-[(4-cyanophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 55053723
2-amino-3-methyl-5-[(4-methyl-3-pyridinyl)methylamino]benzoic acid
CID 114954612
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
2-chloro-1-[2,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-3-yl]propan-1-one
CID 60904098
1-ethyl-2-methyl-5-pyridin-4-ylpyrrole-3-carboxylic acid
CID 91672243

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid (CID 114954674) is 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid is Cc1ccncc1Cn1c(C)cc(C(=O)O)c1C.
What is the InChIKey of 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid?
The InChIKey is SEOIDMKFBVLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-5-15-7-12(9)8-16-10(2)6-13(11(16)3)14(17)18/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid?
2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 114954674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).