N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide

C18H14N4O5 — CID 60540832

IUPACN-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1)c1ccncc1
InChIInChI=1S/C18H14N4O5/c23-17(13-6-8-19-9-7-13)21-14-3-1-2-12(10-14)11-20-18(24)15-4-5-16(27-15)22(25)26/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyVRFOHAZYHHJQKV-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.77
Rot. Bonds6

About N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 60540832) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID60540832
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC NameN-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1)c1ccncc1
InChIInChI=1S/C18H14N4O5/c23-17(13-6-8-19-9-7-13)21-14-3-1-2-12(10-14)11-20-18(24)15-4-5-16(27-15)22(25)26/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyVRFOHAZYHHJQKV-UHFFFAOYSA-N
XLogP2.77
TPSA127.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[(3-methylphenyl)methyl]-5-nitrofuran-2-carboxamide
CID 34164755
N-[3-(methoxymethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 33098918
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-[3-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064649
N-[3-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
N-[3-[[(3-hydroxynaphthalene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903332
N-[3-[[(3-methyl-5-nitroimidazol-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 60527028
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 60540832) is N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1)c1ccncc1.
What is the InChIKey of N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is VRFOHAZYHHJQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5/c23-17(13-6-8-19-9-7-13)21-14-3-1-2-12(10-14)11-20-18(24)15-4-5-16(27-15)22(25)26/h1-10H,11H2,(H,20,24)(H,21,23).
What are the key properties of N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 366.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 60540832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).