1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide

C21H23N3O — CID 53200707

IUPAC1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(C)cc2)cc1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C21H23N3O/c1-4-24-14-18(17-10-8-15(2)9-11-17)13-20(24)21(25)23-16(3)19-7-5-6-12-22-19/h5-14,16H,4H2,1-3H3,(H,23,25)
InChIKeyOPDWXJJQCMJWLW-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.37
Rot. Bonds5

About 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide

1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide (PubChem CID 53200707) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide
PubChem CID53200707
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(C)cc2)cc1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C21H23N3O/c1-4-24-14-18(17-10-8-15(2)9-11-17)13-20(24)21(25)23-16(3)19-7-5-6-12-22-19/h5-14,16H,4H2,1-3H3,(H,23,25)
InChIKeyOPDWXJJQCMJWLW-UHFFFAOYSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114044
1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114040
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 77083070
methyl 1-ethyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 117223182
N-(4-methylphenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406656
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
CID 81407262
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
2-(ethylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168319
5-(ethylamino)-N-(1-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 107374502

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide (CID 53200707) is 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide is CCn1cc(-c2ccc(C)cc2)cc1C(=O)NC(C)c1ccccn1.
What is the InChIKey of 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide?
The InChIKey is OPDWXJJQCMJWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-4-24-14-18(17-10-8-15(2)9-11-17)13-20(24)21(25)23-16(3)19-7-5-6-12-22-19/h5-14,16H,4H2,1-3H3,(H,23,25).
What are the key properties of 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide?
1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 53200707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).