N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide

C20H21N3O2 — CID 53054955

IUPACN-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cccn2-c2cccnc2C)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-17-10-8-16(9-11-17)14-22-20(24)19-7-5-13-23(19)18-6-4-12-21-15(18)2/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeyGTQHPGXVJFYZMC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.51
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide

N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide (PubChem CID 53054955) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
PubChem CID53054955
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cccn2-c2cccnc2C)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-17-10-8-16(9-11-17)14-22-20(24)19-7-5-13-23(19)18-6-4-12-21-15(18)2/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeyGTQHPGXVJFYZMC-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide (CID 53054955) is N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide is CCOc1ccc(CNC(=O)c2cccn2-c2cccnc2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is GTQHPGXVJFYZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-25-17-10-8-16(9-11-17)14-22-20(24)19-7-5-13-23(19)18-6-4-12-21-15(18)2/h4-13H,3,14H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 53054955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).