2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide

C15H22N4O3 — CID 133354655

IUPAC2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide
SMILESCc1cc([N+](=O)[O-])cnc1N1CCCC(NC(=O)C(C)C)C1
InChIInChI=1S/C15H22N4O3/c1-10(2)15(20)17-12-5-4-6-18(9-12)14-11(3)7-13(8-16-14)19(21)22/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,20)
InChIKeySDCVHUXVQHKPIT-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.04
Rot. Bonds4

About 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide

2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide (PubChem CID 133354655) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide
PubChem CID133354655
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide
SMILESCc1cc([N+](=O)[O-])cnc1N1CCCC(NC(=O)C(C)C)C1
InChIInChI=1S/C15H22N4O3/c1-10(2)15(20)17-12-5-4-6-18(9-12)14-11(3)7-13(8-16-14)19(21)22/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,20)
InChIKeySDCVHUXVQHKPIT-UHFFFAOYSA-N
XLogP2.04
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
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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Related Compounds

N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine
CID 62545492
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62663995
3-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanoic acid
CID 62476675
1-(3-methyl-5-nitro-2-pyridinyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326898
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106673378
1-(3-methyl-5-nitro-2-pyridinyl)piperidin-4-ol
CID 62477755
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
2-methyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133354611
2-methyl-N-[1-(2-methyl-8-nitroquinolin-4-yl)piperidin-3-yl]propanamide
CID 133437068
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
N-[1-(2-methyl-4-nitrophenyl)piperidin-3-yl]propanamide
CID 71865376
N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine
CID 62546025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide (CID 133354655) is 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide is Cc1cc([N+](=O)[O-])cnc1N1CCCC(NC(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide?
The InChIKey is SDCVHUXVQHKPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)15(20)17-12-5-4-6-18(9-12)14-11(3)7-13(8-16-14)19(21)22/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,20).
What are the key properties of 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide?
2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide has a molecular weight of 306.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 133354655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).