6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine

C13H13N3O3 — CID 19874084

IUPAC6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C13H13N3O3/c1-19-13-7-4-11(9-15-13)14-8-10-2-5-12(6-3-10)16(17)18/h2-7,9,14H,8H2,1H3
InChIKeyWKGQXVBOCPGEIE-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.61
Rot. Bonds5

About 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine

6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine (PubChem CID 19874084) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
PubChem CID19874084
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C13H13N3O3/c1-19-13-7-4-11(9-15-13)14-8-10-2-5-12(6-3-10)16(17)18/h2-7,9,14H,8H2,1H3
InChIKeyWKGQXVBOCPGEIE-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline
CID 47279209
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
CID 62490095
2-[(6-methoxy-3-pyridinyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60710968
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
3-bromo-5-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 82857528
2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
CID 106786755
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
CID 69341790
(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
3-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline
CID 80530893

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine (CID 19874084) is 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine is COc1ccc(NCc2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine?
The InChIKey is WKGQXVBOCPGEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-13-7-4-11(9-15-13)14-8-10-2-5-12(6-3-10)16(17)18/h2-7,9,14H,8H2,1H3.
What are the key properties of 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine?
6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine has a molecular weight of 259.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 19874084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).