4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide

C15H17N3O2 — CID 47266692

IUPAC4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccncc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C15H17N3O2/c1-4-12-13(10(3)19)9(2)17-14(12)15(20)18-11-5-7-16-8-6-11/h5-8,17H,4H2,1-3H3,(H,16,18,20)
InChIKeyUCGUGTXOPVQENP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.74
Rot. Bonds4

About 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 47266692) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID47266692
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2ccncc2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C15H17N3O2/c1-4-12-13(10(3)19)9(2)17-14(12)15(20)18-11-5-7-16-8-6-11/h5-8,17H,4H2,1-3H3,(H,16,18,20)
InChIKeyUCGUGTXOPVQENP-UHFFFAOYSA-N
XLogP2.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3-ethyl-5-methyl-N-(1-methylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 47327832
4-acetyl-3-ethyl-5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47265101
4-acetyl-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60511680
4-acetyl-3-ethyl-5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 87012121
4-acetyl-3-ethyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 47278434
4-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60527517
ethyl 4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]benzoate
CID 47061548
ethyl 1-[3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 55873971
4-acetyl-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55875784
4-acetyl-3-ethyl-N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 55834945
2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136993
4-acetyl-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 51096821

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide (CID 47266692) is 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2ccncc2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is UCGUGTXOPVQENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-12-13(10(3)19)9(2)17-14(12)15(20)18-11-5-7-16-8-6-11/h5-8,17H,4H2,1-3H3,(H,16,18,20).
What are the key properties of 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-5-methyl-N-pyridin-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47266692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).