2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide

C11H15N3O3 — CID 21405310

IUPAC2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)C
InChIInChI=1S/C11H15N3O3/c1-7(2)5-13-11(15)10-4-9(14(16)17)6-12-8(10)3/h4,6-7H,5H2,1-3H3,(H,13,15)
InChIKeyHFRQPHNIWAMJHP-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.68
Rot. Bonds4

About 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide

2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide (PubChem CID 21405310) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
PubChem CID21405310
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)C
InChIInChI=1S/C11H15N3O3/c1-7(2)5-13-11(15)10-4-9(14(16)17)6-12-8(10)3/h4,6-7H,5H2,1-3H3,(H,13,15)
InChIKeyHFRQPHNIWAMJHP-UHFFFAOYSA-N
XLogP1.68
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methyl-2-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 120528434
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 119370336
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51941884
N-(2-ethoxyethyl)-2-methyl-5-nitropyridine-3-carboxamide
CID 47291156
2-[2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526395
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 119599446
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 119607906
2-methyl-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75376448
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 109478731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide (CID 21405310) is 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide is Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide?
The InChIKey is HFRQPHNIWAMJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(2)5-13-11(15)10-4-9(14(16)17)6-12-8(10)3/h4,6-7H,5H2,1-3H3,(H,13,15).
What are the key properties of 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide?
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 21405310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).