N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide

C18H15N5O5 — CID 8990852

IUPACN-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cnccn1
InChIInChI=1S/C18H15N5O5/c24-17(14-11-19-6-7-20-14)21-8-9-22-18(25)16-5-4-15(28-16)12-2-1-3-13(10-12)23(26)27/h1-7,10-11H,8-9H2,(H,21,24)(H,22,25)
InChIKeyCRLZHCLMUMMVKK-UHFFFAOYSA-N
MW381.35 g/mol
LogP1.80
Rot. Bonds7

About N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 8990852) has the molecular formula C18H15N5O5 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID8990852
Molecular FormulaC18H15N5O5
Molecular Weight381.35 g/mol
Exact Mass381.11
IUPAC NameN-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cnccn1
InChIInChI=1S/C18H15N5O5/c24-17(14-11-19-6-7-20-14)21-8-9-22-18(25)16-5-4-15(28-16)12-2-1-3-13(10-12)23(26)27/h1-7,10-11H,8-9H2,(H,21,24)(H,22,25)
InChIKeyCRLZHCLMUMMVKK-UHFFFAOYSA-N
XLogP1.80
TPSA140.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-pyridinyl)-[5-(3-nitrophenyl)furan-2-yl]methanone
CID 53414411
N-[3-(1,2-benzothiazol-3-ylamino)propyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 57436496
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
2-amino-1-[5-(3-nitrophenyl)furan-2-yl]ethanone
CID 170860008
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
N-(6-methyl-2-pyridinyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 738264
N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide
CID 70226757
3-(3-nitrophenyl)-N-[2-[[2-(4-nitrophenyl)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083765
N-[(4-methyl-2-pyridinyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5029064

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide (CID 8990852) is N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide is O=C(NCCNC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cnccn1.
What is the InChIKey of N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is CRLZHCLMUMMVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O5/c24-17(14-11-19-6-7-20-14)21-8-9-22-18(25)16-5-4-15(28-16)12-2-1-3-13(10-12)23(26)27/h1-7,10-11H,8-9H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 8990852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).