(2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide

C9H11N3O4 — CID 164680328

IUPAC(2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide
SMILESC[C@](O)(C[N+](=O)[O-])C(=O)Nc1ccncc1
InChIInChI=1S/C9H11N3O4/c1-9(14,6-12(15)16)8(13)11-7-2-4-10-5-3-7/h2-5,14H,6H2,1H3,(H,10,11,13)/t9-/m0/s1
InChIKeyOIWXTSPOPWVIOG-VIFPVBQESA-N
MW225.20 g/mol
LogP0.05
Rot. Bonds4

About (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide

(2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide (PubChem CID 164680328) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide
PubChem CID164680328
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide
SMILESC[C@](O)(C[N+](=O)[O-])C(=O)Nc1ccncc1
InChIInChI=1S/C9H11N3O4/c1-9(14,6-12(15)16)8(13)11-7-2-4-10-5-3-7/h2-5,14H,6H2,1H3,(H,10,11,13)/t9-/m0/s1
InChIKeyOIWXTSPOPWVIOG-VIFPVBQESA-N
XLogP0.05
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
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

3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
CID 63680701
2,2,2-tribromo-N-pyridin-4-ylacetamide
CID 23576873
methyl 2,2-dimethyl-3-oxo-3-(pyridin-4-ylamino)propanoate
CID 115174758
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylbutanamide
CID 58860949
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006
2-carbamothioyl-2-methyl-N-pyridin-4-ylbutanamide
CID 114291848
(E)-1-N-(2,2-dimethylpropyl)-2-nitro-1-N'-pyridin-4-ylethene-1,1-diamine
CID 15665750
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)butanamide
CID 58773677
(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
CID 124640256
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide?
The IUPAC name of (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide (CID 164680328) is (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide is C[C@](O)(C[N+](=O)[O-])C(=O)Nc1ccncc1.
What is the InChIKey of (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide?
The InChIKey is OIWXTSPOPWVIOG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11N3O4/c1-9(14,6-12(15)16)8(13)11-7-2-4-10-5-3-7/h2-5,14H,6H2,1H3,(H,10,11,13)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide?
(2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide has a molecular weight of 225.20 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 164680328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).