(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide

C16H18N3O4+ — CID 8717542

IUPAC(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[n+]1ccccc1C
InChIInChI=1S/C16H17N3O4/c1-11-6-4-5-9-18(11)12(2)16(20)17-14-10-13(19(21)22)7-8-15(14)23-3/h4-10,12H,1-3H3/p+1/t12-/m1/s1
InChIKeyNYCVYLGVCCMQGB-GFCCVEGCSA-O
MW316.34 g/mol
LogP2.40
Rot. Bonds5

About (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide

(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide (PubChem CID 8717542) has the molecular formula C16H18N3O4+ and a molecular weight of 316.34 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
PubChem CID8717542
Molecular FormulaC16H18N3O4+
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[n+]1ccccc1C
InChIInChI=1S/C16H17N3O4/c1-11-6-4-5-9-18(11)12(2)16(20)17-14-10-13(19(21)22)7-8-15(14)23-3/h4-10,12H,1-3H3/p+1/t12-/m1/s1
InChIKeyNYCVYLGVCCMQGB-GFCCVEGCSA-O
XLogP2.40
TPSA85.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.40
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 8827745
(2R)-N-(2-methoxyphenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717738
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
N-(2-methoxy-5-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 4016198
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide
CID 8876688
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640
(2S,3S)-2,3-bis[(2-chlorobenzoyl)oxy]-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid
CID 126386642
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
2-(2-bromophenyl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide
CID 24527884

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide (CID 8717542) is (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[n+]1ccccc1C.
What is the InChIKey of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide?
The InChIKey is NYCVYLGVCCMQGB-GFCCVEGCSA-O. The full InChI is InChI=1S/C16H17N3O4/c1-11-6-4-5-9-18(11)12(2)16(20)17-14-10-13(19(21)22)7-8-15(14)23-3/h4-10,12H,1-3H3/p+1/t12-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide?
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide has a molecular weight of 316.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-methylpyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8717542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).