4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide

C24H33N5O2 — CID 174165559

IUPAC4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2c(C)[nH]c(/C=C(\C)c3cc(C)ccc3NC=O)c2C)CC1
InChIInChI=1S/C24H33N5O2/c1-6-28-9-11-29(12-10-28)24(31)27-23-18(4)22(26-19(23)5)14-17(3)20-13-16(2)7-8-21(20)25-15-30/h7-8,13-15,26H,6,9-12H2,1-5H3,(H,25,30)(H,27,31)/b17-14+
InChIKeyWGELCYWBPGTPCZ-SAPNQHFASA-N
MW423.56 g/mol
LogP4.24
Rot. Bonds6

About 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide

4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide (PubChem CID 174165559) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide
PubChem CID174165559
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2c(C)[nH]c(/C=C(\C)c3cc(C)ccc3NC=O)c2C)CC1
InChIInChI=1S/C24H33N5O2/c1-6-28-9-11-29(12-10-28)24(31)27-23-18(4)22(26-19(23)5)14-17(3)20-13-16(2)7-8-21(20)25-15-30/h7-8,13-15,26H,6,9-12H2,1-5H3,(H,25,30)(H,27,31)/b17-14+
InChIKeyWGELCYWBPGTPCZ-SAPNQHFASA-N
XLogP4.24
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 62510513
(4-ethylpiperazin-1-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 62510512
2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid
CID 61406321
2-[(4-ethylpiperazine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61190598
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
N-(2,4-dimethylphenyl)-4-ethylpiperazine-1-carbothioamide
CID 19654847
4-[(4-ethylpiperazine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 63190369
2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-methylbenzoic acid
CID 62931539
2-[4-[(2-bromo-4-methylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61182202
N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108895534
4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113107050

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide (CID 174165559) is 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide is CCN1CCN(C(=O)Nc2c(C)[nH]c(/C=C(\C)c3cc(C)ccc3NC=O)c2C)CC1.
What is the InChIKey of 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide?
The InChIKey is WGELCYWBPGTPCZ-SAPNQHFASA-N. The full InChI is InChI=1S/C24H33N5O2/c1-6-28-9-11-29(12-10-28)24(31)27-23-18(4)22(26-19(23)5)14-17(3)20-13-16(2)7-8-21(20)25-15-30/h7-8,13-15,26H,6,9-12H2,1-5H3,(H,25,30)(H,27,31)/b17-14+.
What are the key properties of 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide?
4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[5-[(E)-2-(2-formamido-5-methylphenyl)prop-1-enyl]-2,4-dimethyl-1H-pyrrol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 174165559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).