1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide

C12H16N6O3 — CID 100575509

IUPAC1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(N)=Nc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16N6O3/c13-10(19)8-3-6-17(7-4-8)12(14)16-11-9(18(20)21)2-1-5-15-11/h1-2,5,8H,3-4,6-7H2,(H2,13,19)(H2,14,15,16)
InChIKeyASFOWMKZRDXZBM-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.13
Rot. Bonds3

About 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide

1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide (PubChem CID 100575509) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide
PubChem CID100575509
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(N)=Nc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C12H16N6O3/c13-10(19)8-3-6-17(7-4-8)12(14)16-11-9(18(20)21)2-1-5-15-11/h1-2,5,8H,3-4,6-7H2,(H2,13,19)(H2,14,15,16)
InChIKeyASFOWMKZRDXZBM-UHFFFAOYSA-N
XLogP0.13
TPSA140.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-(3-nitro-2-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 133185686
ethyl 4-[(E)-N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperazine-1-carboxylate
CID 133185650
4-(4-fluorophenyl)-N'-(3-nitro-2-pyridinyl)piperazine-1-carboximidamide
CID 133185705
4-(4-methoxyphenyl)-N'-(3-nitro-2-pyridinyl)piperazine-1-carboximidamide
CID 100575531
N'-(3-nitro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
CID 100575243
6-(4-carbamoylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81441699
3-nitro-2-nitrosopyridine
CID 140999580
1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 4845441
ethyl 1-(3-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 60631682
methyl 4-[[N'-(3-nitro-2-pyridinyl)carbamimidoyl]amino]benzoate
CID 100574946
1-[(2-fluoro-3-nitrophenyl)methyl]piperidine-4-carboxamide
CID 107348066
(2R)-2-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
CID 95617552

Frequently Asked Questions

What is the IUPAC name of 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide (CID 100575509) is 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(N)=Nc2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide?
The InChIKey is ASFOWMKZRDXZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c13-10(19)8-3-6-17(7-4-8)12(14)16-11-9(18(20)21)2-1-5-15-11/h1-2,5,8H,3-4,6-7H2,(H2,13,19)(H2,14,15,16).
What are the key properties of 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide?
1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide is sourced from PubChem (CID 100575509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).