(2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide

C15H15N3O4 — CID 7467783

IUPAC(2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])ccc2=O)cc1
InChIInChI=1S/C15H15N3O4/c1-10-3-5-12(6-4-10)16-15(20)11(2)17-9-13(18(21)22)7-8-14(17)19/h3-9,11H,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyNORRZDQWCGYJBZ-LLVKDONJSA-N
MW301.30 g/mol
LogP2.26
Rot. Bonds4

About (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide

(2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide (PubChem CID 7467783) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
PubChem CID7467783
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])ccc2=O)cc1
InChIInChI=1S/C15H15N3O4/c1-10-3-5-12(6-4-10)16-15(20)11(2)17-9-13(18(21)22)7-8-14(17)19/h3-9,11H,1-2H3,(H,16,20)/t11-/m1/s1
InChIKeyNORRZDQWCGYJBZ-LLVKDONJSA-N
XLogP2.26
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.26
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

(2R)-N-(3-acetylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 7467767
N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
CID 84572490
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 78487298
(2S)-2-[4-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]-N-(4-nitrophenyl)propanamide
CID 26008277
(2R)-N-(4-nitrophenyl)-2-piperidin-1-ylpropanamide
CID 7431081
N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
CID 84572510
(2R)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-nitrophenyl)propanamide
CID 25445582
N-(4-methylphenyl)-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 55363585
2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 32737357
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(methylamino)-5-nitrobenzoate
CID 7752059

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide (CID 7467783) is (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])ccc2=O)cc1.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide?
The InChIKey is NORRZDQWCGYJBZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-10-3-5-12(6-4-10)16-15(20)11(2)17-9-13(18(21)22)7-8-14(17)19/h3-9,11H,1-2H3,(H,16,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide?
(2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide has a molecular weight of 301.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 7467783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).