1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide

C21H23N3O2 — CID 95114040

IUPAC1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(OC)cc2)cc1C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C21H23N3O2/c1-4-24-14-17(16-8-10-18(26-3)11-9-16)13-20(24)21(25)23-15(2)19-7-5-6-12-22-19/h5-15H,4H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyABQRUPOTGQRLHS-OAHLLOKOSA-N
MW349.43 g/mol
LogP4.07
Rot. Bonds6

About 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide

1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide (PubChem CID 95114040) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
PubChem CID95114040
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(OC)cc2)cc1C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C21H23N3O2/c1-4-24-14-17(16-8-10-18(26-3)11-9-16)13-20(24)21(25)23-15(2)19-7-5-6-12-22-19/h5-15H,4H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyABQRUPOTGQRLHS-OAHLLOKOSA-N
XLogP4.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide
CID 53200707
1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114044
1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 53147781
4-amino-1-ethyl-N-[1-(4-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 66197374
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(4-phenylphenoxy)-N-(1-pyridin-2-ylethyl)propanamide
CID 46408411
7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159865
4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 25391222
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159767
1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
CID 81407262
5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]-1,3-oxazole-4-carboxamide
CID 51492690

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide (CID 95114040) is 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide is CCn1cc(-c2ccc(OC)cc2)cc1C(=O)N[C@H](C)c1ccccn1.
What is the InChIKey of 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide?
The InChIKey is ABQRUPOTGQRLHS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24-14-17(16-8-10-18(26-3)11-9-16)13-20(24)21(25)23-15(2)19-7-5-6-12-22-19/h5-15H,4H2,1-3H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide?
1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 95114040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).