2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide

C17H19N3O3 — CID 71934476

IUPAC2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(N(C(=O)c2cc([N+](=O)[O-])cnc2C)C(C)C)cc1
InChIInChI=1S/C17H19N3O3/c1-11(2)19(14-7-5-12(3)6-8-14)17(21)16-9-15(20(22)23)10-18-13(16)4/h5-11H,1-4H3
InChIKeyJDTKIMYMRYNAFU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.66
Rot. Bonds4

About 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide

2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 71934476) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide
PubChem CID71934476
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(N(C(=O)c2cc([N+](=O)[O-])cnc2C)C(C)C)cc1
InChIInChI=1S/C17H19N3O3/c1-11(2)19(14-7-5-12(3)6-8-14)17(21)16-9-15(20(22)23)10-18-13(16)4/h5-11H,1-4H3
InChIKeyJDTKIMYMRYNAFU-UHFFFAOYSA-N
XLogP3.66
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
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

2-[(2-methyl-5-nitropyridine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 120518170
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 119583999
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
N,2-dimethyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-nitropyridine-3-carboxamide
CID 91646317
(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 119370336
1-ethyl-3-methyl-N-(4-methylphenyl)-4-nitro-N-propan-2-ylpyrazole-5-carboxamide
CID 75516261
3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119655604
2-methyl-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75376448
4-methyl-2-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 120528434
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119553240
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 109400050

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide (CID 71934476) is 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(N(C(=O)c2cc([N+](=O)[O-])cnc2C)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is JDTKIMYMRYNAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11(2)19(14-7-5-12(3)6-8-14)17(21)16-9-15(20(22)23)10-18-13(16)4/h5-11H,1-4H3.
What are the key properties of 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide?
2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 71934476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).