N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine

C13H13N3O3 — CID 139073086

IUPACN-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine
SMILESCO[C@@H](Nc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H13N3O3/c1-19-13(15-12-4-2-3-9-14-12)10-5-7-11(8-6-10)16(17)18/h2-9,13H,1H3,(H,14,15)/t13-/m1/s1
InChIKeyWBOYFJGSWRFXBC-CYBMUJFWSA-N
MW259.27 g/mol
LogP2.75
Rot. Bonds5

About N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine

N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 139073086) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine
PubChem CID139073086
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine
SMILESCO[C@@H](Nc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H13N3O3/c1-19-13(15-12-4-2-3-9-14-12)10-5-7-11(8-6-10)16(17)18/h2-9,13H,1H3,(H,14,15)/t13-/m1/s1
InChIKeyWBOYFJGSWRFXBC-CYBMUJFWSA-N
XLogP2.75
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-[(3-nitropyridin-2-yl)amino]benzoate
CID 3097921
N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 3455584
N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 7446717
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 4269084
4-(5-Nitro-pyridin-2-ylamino)-benzoic acid ethyl ester
CID 2842439
N'-[(4-nitrobenzyl)oxy]-4-pyridinecarboximidamide
CID 5931501
N'-[(4-nitrobenzyl)oxy]-2-pyridinecarboximidamide
CID 9638883
Carbamic acid, 2-pyridinyl-, phenylmethyl ester
CID 302978
5-(4-Nitrophenyl)-3-[(pyridin-2-ylamino)methyl]-1,3,4-oxadiazole-2-thione
CID 76319317
N-[(2-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 2848687
N'-[(4-nitrophenyl)methoxy]pyridine-4-carboxamidine
CID 3819383

Frequently Asked Questions

What is the IUPAC name of N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine (CID 139073086) is N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine is CO[C@@H](Nc1ccccn1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is WBOYFJGSWRFXBC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-13(15-12-4-2-3-9-14-12)10-5-7-11(8-6-10)16(17)18/h2-9,13H,1H3,(H,14,15)/t13-/m1/s1.
What are the key properties of N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine?
N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine has a molecular weight of 259.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-methoxy-(4-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 139073086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).