1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide

C24H25N5O2 — CID 166191414

IUPAC1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NCc3ccc(-n4ccnc4C)nc3)c2C)cc1
InChIInChI=1S/C24H25N5O2/c1-16-13-22(17(2)29(16)20-6-8-21(31-4)9-7-20)24(30)27-15-19-5-10-23(26-14-19)28-12-11-25-18(28)3/h5-14H,15H2,1-4H3,(H,27,30)
InChIKeyDSULIPSZARVCIX-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.92
Rot. Bonds6

About 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide

1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide (PubChem CID 166191414) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide
PubChem CID166191414
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NCc3ccc(-n4ccnc4C)nc3)c2C)cc1
InChIInChI=1S/C24H25N5O2/c1-16-13-22(17(2)29(16)20-6-8-21(31-4)9-7-20)24(30)27-15-19-5-10-23(26-14-19)28-12-11-25-18(28)3/h5-14H,15H2,1-4H3,(H,27,30)
InChIKeyDSULIPSZARVCIX-UHFFFAOYSA-N
XLogP3.92
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide (CID 166191414) is 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide is COc1ccc(-n2c(C)cc(C(=O)NCc3ccc(-n4ccnc4C)nc3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide?
The InChIKey is DSULIPSZARVCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-13-22(17(2)29(16)20-6-8-21(31-4)9-7-20)24(30)27-15-19-5-10-23(26-14-19)28-12-11-25-18(28)3/h5-14H,15H2,1-4H3,(H,27,30).
What are the key properties of 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide?
1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,5-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 166191414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).