N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine

C18H14N6O2 — CID 58703421

IUPACN-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine
SMILESO=[N+]([O-])c1cccc2c1ccn2Cc1ccnc(Nc2cnccn2)c1
InChIInChI=1S/C18H14N6O2/c25-24(26)16-3-1-2-15-14(16)5-9-23(15)12-13-4-6-20-17(10-13)22-18-11-19-7-8-21-18/h1-11H,12H2,(H,20,21,22)
InChIKeyNCBIJCNTNRCYHW-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.53
Rot. Bonds5

About N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine

N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 58703421) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine
PubChem CID58703421
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC NameN-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine
SMILESO=[N+]([O-])c1cccc2c1ccn2Cc1ccnc(Nc2cnccn2)c1
InChIInChI=1S/C18H14N6O2/c25-24(26)16-3-1-2-15-14(16)5-9-23(15)12-13-4-6-20-17(10-13)22-18-11-19-7-8-21-18/h1-11H,12H2,(H,20,21,22)
InChIKeyNCBIJCNTNRCYHW-UHFFFAOYSA-N
XLogP3.53
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine (CID 58703421) is N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine is O=[N+]([O-])c1cccc2c1ccn2Cc1ccnc(Nc2cnccn2)c1.
What is the InChIKey of N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is NCBIJCNTNRCYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-24(26)16-3-1-2-15-14(16)5-9-23(15)12-13-4-6-20-17(10-13)22-18-11-19-7-8-21-18/h1-11H,12H2,(H,20,21,22).
What are the key properties of N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine?
N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 346.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-nitroindol-1-yl)methyl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 58703421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).