(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide

C13H13N3O5 — CID 40662422

IUPAC(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESC[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C13H13N3O5/c1-9(13(17)15-8-10-4-3-7-20-10)21-11-5-2-6-14-12(11)16(18)19/h2-7,9H,8H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyZCAKZLCJARFJDJ-SECBINFHSA-N
MW291.26 g/mol
LogP1.67
Rot. Bonds6

About (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide

(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (PubChem CID 40662422) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
PubChem CID40662422
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
SMILESC[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C13H13N3O5/c1-9(13(17)15-8-10-4-3-7-20-10)21-11-5-2-6-14-12(11)16(18)19/h2-7,9H,8H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyZCAKZLCJARFJDJ-SECBINFHSA-N
XLogP1.67
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide
CID 4943832
N-(furan-2-ylmethyl)-2-quinolin-8-yloxypropanamide
CID 4781245
N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 18077542
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008
(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876319
2-[(6-formyl-3-pyridinyl)oxy]-N-(furan-2-ylmethyl)propanamide
CID 79794769
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
CID 103547811

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide (CID 40662422) is (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide is C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)NCc1ccco1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
The InChIKey is ZCAKZLCJARFJDJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-9(13(17)15-8-10-4-3-7-20-10)21-11-5-2-6-14-12(11)16(18)19/h2-7,9H,8H2,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide?
(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide has a molecular weight of 291.26 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 40662422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).