N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine

C20H15N5O2 — CID 22725005

IUPACN-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine
SMILESO=[N+]([O-])c1cccc(CNc2ccc3ncc(-c4ccccc4)nc3n2)c1
InChIInChI=1S/C20H15N5O2/c26-25(27)16-8-4-5-14(11-16)12-22-19-10-9-17-20(24-19)23-18(13-21-17)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,22,23,24)
InChIKeyBTIVJQKWJYXECP-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.21
Rot. Bonds5

About N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine

N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine (PubChem CID 22725005) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine
PubChem CID22725005
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC NameN-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine
SMILESO=[N+]([O-])c1cccc(CNc2ccc3ncc(-c4ccccc4)nc3n2)c1
InChIInChI=1S/C20H15N5O2/c26-25(27)16-8-4-5-14(11-16)12-22-19-10-9-17-20(24-19)23-18(13-21-17)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,22,23,24)
InChIKeyBTIVJQKWJYXECP-UHFFFAOYSA-N
XLogP4.21
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.21
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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Related Compounds

4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol
CID 135693240
4-[6-[(3-fluorophenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol
CID 135693252
6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 80648081
3-nitro-6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 79826302
6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine
CID 47453552
6-[(3-nitrophenyl)methylamino]pyrazine-2-carboxylic acid
CID 66451490
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
6-ethyl-N-[(3-nitrophenyl)methyl]pyrimidin-4-amine
CID 55083921
N-(3-chlorophenyl)-3-phenylpyrido[2,3-b]pyrazin-6-amine
CID 22725052
6-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]quinolin-2-amine
CID 133379936
6-methyl-4-[(3-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244731
6-bromo-N-[(3-nitrophenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 106194828

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine (CID 22725005) is N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine is O=[N+]([O-])c1cccc(CNc2ccc3ncc(-c4ccccc4)nc3n2)c1.
What is the InChIKey of N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine?
The InChIKey is BTIVJQKWJYXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-25(27)16-8-4-5-14(11-16)12-22-19-10-9-17-20(24-19)23-18(13-21-17)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,22,23,24).
What are the key properties of N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine?
N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine has a molecular weight of 357.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methyl]-3-phenylpyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 22725005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).