1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide

C17H15N3O4 — CID 3346250

IUPAC1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccco1
InChIInChI=1S/C17H15N3O4/c1-11-15(17(18)21)9-16(19(11)10-14-6-3-7-24-14)12-4-2-5-13(8-12)20(22)23/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyUYDNOWFZUQLDJM-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.11
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide

1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide (PubChem CID 3346250) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
PubChem CID3346250
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccco1
InChIInChI=1S/C17H15N3O4/c1-11-15(17(18)21)9-16(19(11)10-14-6-3-7-24-14)12-4-2-5-13(8-12)20(22)23/h2-9H,10H2,1H3,(H2,18,21)
InChIKeyUYDNOWFZUQLDJM-UHFFFAOYSA-N
XLogP3.11
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-difluorophenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 4665187
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3799937
1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3731735
1-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3863533
5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 3839367
1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3844613
1-(1-methoxypropan-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3799832
[2-(3-nitroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731690
2-methyl-1-[(3-nitrophenyl)methyl]-5-phenylpyrrole-3-carboxylic acid
CID 18522188
2-methyl-5-(3-nitrophenyl)-1-octan-2-ylpyrrole-3-carboxamide
CID 3346252
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631098
5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 3848823

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide (CID 3346250) is 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide?
The InChIKey is UYDNOWFZUQLDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-11-15(17(18)21)9-16(19(11)10-14-6-3-7-24-14)12-4-2-5-13(8-12)20(22)23/h2-9H,10H2,1H3,(H2,18,21).
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide?
1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3346250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).