1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide

C21H23N3O2 — CID 53147781

IUPAC1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(OC)cc2)cc1C(=O)NC(C)c1cccnc1
InChIInChI=1S/C21H23N3O2/c1-4-24-14-18(16-7-9-19(26-3)10-8-16)12-20(24)21(25)23-15(2)17-6-5-11-22-13-17/h5-15H,4H2,1-3H3,(H,23,25)
InChIKeyQRKJHDDDPRGVNY-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.07
Rot. Bonds6

About 1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide

1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide (PubChem CID 53147781) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
PubChem CID53147781
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(OC)cc2)cc1C(=O)NC(C)c1cccnc1
InChIInChI=1S/C21H23N3O2/c1-4-24-14-18(16-7-9-19(26-3)10-8-16)12-20(24)21(25)23-15(2)17-6-5-11-22-13-17/h5-15H,4H2,1-3H3,(H,23,25)
InChIKeyQRKJHDDDPRGVNY-UHFFFAOYSA-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-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114040
1-[(2-methylphenyl)methyl]-4-pyridin-4-yl-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 71840985
4-amino-1-ethyl-N-[1-(4-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 66197374
2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 51256063
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159767
3-methoxy-N-(1-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 18110339
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97347952
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 81407563

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide (CID 53147781) is 1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide is CCn1cc(-c2ccc(OC)cc2)cc1C(=O)NC(C)c1cccnc1.
What is the InChIKey of 1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide?
The InChIKey is QRKJHDDDPRGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24-14-18(16-7-9-19(26-3)10-8-16)12-20(24)21(25)23-15(2)17-6-5-11-22-13-17/h5-15H,4H2,1-3H3,(H,23,25).
What are the key properties of 1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide?
1-ethyl-4-(4-methoxyphenyl)-N-(1-pyridin-3-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-(1-pyridin-3-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 53147781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).