2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide

C16H24N4O3 — CID 100737772

IUPAC2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C
InChIInChI=1S/C16H24N4O3/c1-11-13(8-12(9-17-11)20(22)23)15(21)18-10-14-16(2,3)6-5-7-19(14)4/h8-9,14H,5-7,10H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyADQBPXMNKMBBGJ-AWEZNQCLSA-N
MW320.39 g/mol
LogP2.15
Rot. Bonds4

About 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide

2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 100737772) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide
PubChem CID100737772
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C
InChIInChI=1S/C16H24N4O3/c1-11-13(8-12(9-17-11)20(22)23)15(21)18-10-14-16(2,3)6-5-7-19(14)4/h8-9,14H,5-7,10H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyADQBPXMNKMBBGJ-AWEZNQCLSA-N
XLogP2.15
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.15
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-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51079802
2-methyl-5-nitro-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119447877
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
2-[2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526395
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 99791597
N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide
CID 47291156
2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427651
3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119477616
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
4-methyl-2-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 120528434
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 120816896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide (CID 100737772) is 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide is Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1N(C)CCCC1(C)C.
What is the InChIKey of 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is ADQBPXMNKMBBGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-13(8-12(9-17-11)20(22)23)15(21)18-10-14-16(2,3)6-5-7-19(14)4/h8-9,14H,5-7,10H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide?
2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-[[(2R)-1,3,3-trimethylpiperidin-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 100737772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).