2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide

C12H16N4O3 — CID 119427651

IUPAC2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC1CCCNC1
InChIInChI=1S/C12H16N4O3/c1-8-11(5-10(7-14-8)16(18)19)12(17)15-9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3,(H,15,17)
InChIKeyDGTCZAJYLFNJAE-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.78
Rot. Bonds3

About 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide

2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide (PubChem CID 119427651) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
PubChem CID119427651
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC1CCCNC1
InChIInChI=1S/C12H16N4O3/c1-8-11(5-10(7-14-8)16(18)19)12(17)15-9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3,(H,15,17)
InChIKeyDGTCZAJYLFNJAE-UHFFFAOYSA-N
XLogP0.78
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide (CID 119427651) is 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide is Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCCNC1.
What is the InChIKey of 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide?
The InChIKey is DGTCZAJYLFNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-11(5-10(7-14-8)16(18)19)12(17)15-9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3,(H,15,17).
What are the key properties of 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide?
2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 119427651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).