5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide

C9H10N4O3 — CID 67636820

IUPAC5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cc(N)cnc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O3/c1-2-3-11-9(14)7-4-6(10)5-12-8(7)13(15)16/h2,4-5H,1,3,10H2,(H,11,14)
InChIKeyYBGCFPWPKMIAQJ-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.49
Rot. Bonds4

About 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide

5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 67636820) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide
PubChem CID67636820
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cc(N)cnc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O3/c1-2-3-11-9(14)7-4-6(10)5-12-8(7)13(15)16/h2,4-5H,1,3,10H2,(H,11,14)
InChIKeyYBGCFPWPKMIAQJ-UHFFFAOYSA-N
XLogP0.49
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide (CID 67636820) is 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cc(N)cnc1[N+](=O)[O-].
What is the InChIKey of 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is YBGCFPWPKMIAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-2-3-11-9(14)7-4-6(10)5-12-8(7)13(15)16/h2,4-5H,1,3,10H2,(H,11,14).
What are the key properties of 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide?
5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 222.20 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-nitro-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 67636820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).