N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine

C9H9N5O2 — CID 3476907

IUPACN-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine
SMILESO=[N+]([O-])c1nccn1CNc1ccncc1
InChIInChI=1S/C9H9N5O2/c15-14(16)9-11-5-6-13(9)7-12-8-1-3-10-4-2-8/h1-6H,7H2,(H,10,12)
InChIKeyFFBDPLJNWRUVLJ-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.26
Rot. Bonds4

About N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine

N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine (PubChem CID 3476907) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine
PubChem CID3476907
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC NameN-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine
SMILESO=[N+]([O-])c1nccn1CNc1ccncc1
InChIInChI=1S/C9H9N5O2/c15-14(16)9-11-5-6-13(9)7-12-8-1-3-10-4-2-8/h1-6H,7H2,(H,10,12)
InChIKeyFFBDPLJNWRUVLJ-UHFFFAOYSA-N
XLogP1.26
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine?
The IUPAC name of N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine (CID 3476907) is N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine is O=[N+]([O-])c1nccn1CNc1ccncc1.
What is the InChIKey of N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine?
The InChIKey is FFBDPLJNWRUVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c15-14(16)9-11-5-6-13(9)7-12-8-1-3-10-4-2-8/h1-6H,7H2,(H,10,12).
What are the key properties of N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine?
N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine has a molecular weight of 219.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitroimidazol-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 3476907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).