N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide

C15H15N3O4 — CID 18155549

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccn1
InChIInChI=1S/C15H15N3O4/c1-22-15-8-11(6-7-16-15)10-17-14(19)9-12-4-2-3-5-13(12)18(20)21/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyGBCORBCDONNHHZ-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.86
Rot. Bonds6

About N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide

N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide (PubChem CID 18155549) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide
PubChem CID18155549
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide
SMILESCOc1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccn1
InChIInChI=1S/C15H15N3O4/c1-22-15-8-11(6-7-16-15)10-17-14(19)9-12-4-2-3-5-13(12)18(20)21/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyGBCORBCDONNHHZ-UHFFFAOYSA-N
XLogP1.86
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.86
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

methyl 2-methoxy-5-[[[2-(2-nitrophenyl)acetyl]amino]methyl]benzoate
CID 27817613
N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitrobenzamide
CID 18155533
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 743835
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide
CID 55539218
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 87004950
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
N-[(5-fluoro-2-nitrophenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 62990430

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide (CID 18155549) is N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide is COc1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is GBCORBCDONNHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-22-15-8-11(6-7-16-15)10-17-14(19)9-12-4-2-3-5-13(12)18(20)21/h2-8H,9-10H2,1H3,(H,17,19).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide?
N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 301.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 18155549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).