3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate

C62H89N9O7 — CID 157129736

About 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate

3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 157129736) has the molecular formula C62H89N9O7 and a molecular weight of 1072.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
• PubChem CID: 157129736
• Molecular Formula: C62H89N9O7
• Molecular Weight: 1072.45 g/mol
• Exact Mass: 1071.69
• IUPAC Name: 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
• SMILES: CCOC(=O)c1[nH]c(C)c(C2=CCN(C)CC2)c1C.CCOC(=O)c1[nH]c(C)cc1C.Cc1[nH]c(C(=O)O)c(C)c1C1=CCN(C)CC1.Cc1[nH]c(C=O)c(C)c1C1=CCN(C)CC1.Cc1c[nH]c(C)c1C1=CCN(C)CC1
• InChI: InChI=1S/C15H22N2O2.C13H18N2O2.C13H18N2O.C12H18N2.C9H13NO2/c1-5-19-15(18)14-10(2)13(11(3)16-14)12-6-8-17(4)9-7-12;1-8-11(9(2)14-12(8)13(16)17)10-4-6-15(3)7-5-10;1-9-12(8-16)14-10(2)13(9)11-4-6-15(3)7-5-11;1-9-8-13-10(2)12(9)11-4-6-14(3)7-5-11;1-4-12-9(11)8-6(2)5-7(3)10-8/h6,16H,5,7-9H2,1-4H3;4,14H,5-7H2,1-3H3,(H,16,17);4,8,14H,5-7H2,1-3H3;4,8,13H,5-7H2,1-3H3;5,10H,4H2,1-3H3
• InChIKey: AIXPLWJEJOGYOK-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 198.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.45
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate?

The IUPAC name of 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 157129736) is 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate.

What is the SMILES notation for 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate?

The canonical SMILES for 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(C2=CCN(C)CC2)c1C.CCOC(=O)c1[nH]c(C)cc1C.Cc1[nH]c(C(=O)O)c(C)c1C1=CCN(C)CC1.Cc1[nH]c(C=O)c(C)c1C1=CCN(C)CC1.Cc1c[nH]c(C)c1C1=CCN(C)CC1.

What is the InChIKey of 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate?

The InChIKey is AIXPLWJEJOGYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.C13H18N2O2.C13H18N2O.C12H18N2.C9H13NO2/c1-5-19-15(18)14-10(2)13(11(3)16-14)12-6-8-17(4)9-7-12;1-8-11(9(2)14-12(8)13(16)17)10-4-6-15(3)7-5-10;1-9-12(8-16)14-10(2)13(9)11-4-6-15(3)7-5-11;1-9-8-13-10(2)12(9)11-4-6-14(3)7-5-11;1-4-12-9(11)8-6(2)5-7(3)10-8/h6,16H,5,7-9H2,1-4H3;4,14H,5-7H2,1-3H3,(H,16,17);4,8,14H,5-7H2,1-3H3;4,8,13H,5-7H2,1-3H3;5,10H,4H2,1-3H3.

What are the key properties of 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate?

3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 1072.45 g/mol, XLogP of 10.90, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carbaldehyde;3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylic acid;4-(2,4-dimethyl-1H-pyrrol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine;ethyl 3,5-dimethyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrole-2-carboxylate;ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 157129736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).