N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide

C17H13N3O4 — CID 738264

IUPACN-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1
InChIInChI=1S/C17H13N3O4/c1-11-4-2-7-16(18-11)19-17(21)15-9-8-14(24-15)12-5-3-6-13(10-12)20(22)23/h2-10H,1H3,(H,18,19,21)
InChIKeyQWANHXCQNXVNLC-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.81
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide

N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 738264) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID738264
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1
InChIInChI=1S/C17H13N3O4/c1-11-4-2-7-16(18-11)19-17(21)15-9-8-14(24-15)12-5-3-6-13(10-12)20(22)23/h2-10H,1H3,(H,18,19,21)
InChIKeyQWANHXCQNXVNLC-UHFFFAOYSA-N
XLogP3.81
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.81
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

N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 15987569
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5262323
N-[(4-methyl-2-pyridinyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5029064
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide (CID 738264) is N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is QWANHXCQNXVNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-11-4-2-7-16(18-11)19-17(21)15-9-8-14(24-15)12-5-3-6-13(10-12)20(22)23/h2-10H,1H3,(H,18,19,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide?
N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 738264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).