N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide

C15H17N7O2 — CID 100573733

IUPACN'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17N7O2/c16-15(19-13-5-4-12(11-18-13)22(23)24)21-9-7-20(8-10-21)14-3-1-2-6-17-14/h1-6,11H,7-10H2,(H2,16,18,19)
InChIKeyQTVQUVJVJOSRQH-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.15
Rot. Bonds3

About N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide

N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide (PubChem CID 100573733) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
PubChem CID100573733
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC NameN'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17N7O2/c16-15(19-13-5-4-12(11-18-13)22(23)24)21-9-7-20(8-10-21)14-3-1-2-6-17-14/h1-6,11H,7-10H2,(H2,16,18,19)
InChIKeyQTVQUVJVJOSRQH-UHFFFAOYSA-N
XLogP1.15
TPSA113.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide
CID 100573962
4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide
CID 100574103
(3S)-3-methyl-N'-(5-nitro-2-pyridinyl)piperidine-1-carboximidamide
CID 124908137
[2-(methylamino)-5-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18104774
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
CID 4903897
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
1-[(4-nitropyrazol-1-yl)methyl]-4-pyridin-2-ylpiperazine
CID 22199411
2-(5-nitro-2-pyridinyl)-1-phenylguanidine
CID 100573340
2-amino-1-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 61259070
4-(5-nitro-2-pyridinyl)-1,4-diazepane-1-carboxylic acid
CID 68559517
(2-methyl-3,5-dinitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78768583

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide (CID 100573733) is N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide is N/C(=N\c1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide?
The InChIKey is QTVQUVJVJOSRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c16-15(19-13-5-4-12(11-18-13)22(23)24)21-9-7-20(8-10-21)14-3-1-2-6-17-14/h1-6,11H,7-10H2,(H2,16,18,19).
What are the key properties of N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide?
N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide has a molecular weight of 327.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 100573733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).