(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C14H17N5O4 — CID 8644554

IUPAC(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O4/c1-9(2)18-12(6-8-16-18)17-14(20)10(3)23-11-5-4-7-15-13(11)19(21)22/h4-10H,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyJQSGXBDVBPBBRI-JTQLQIEISA-N
MW319.32 g/mol
LogP2.17
Rot. Bonds6

About (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 8644554) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID8644554
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O4/c1-9(2)18-12(6-8-16-18)17-14(20)10(3)23-11-5-4-7-15-13(11)19(21)22/h4-10H,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyJQSGXBDVBPBBRI-JTQLQIEISA-N
XLogP2.17
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
N-(4-chlorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974844
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 40662422
2-[(2-nitro-3-pyridinyl)oxy]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16959128
(2R)-2-[(2-nitro-3-pyridinyl)oxy]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 8643321
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)propanamide
CID 41036683
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 18077542
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(4-nitrophenoxy)propanamide
CID 40674507
(2R)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 27968639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 8644554) is (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-].
What is the InChIKey of (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is JQSGXBDVBPBBRI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N5O4/c1-9(2)18-12(6-8-16-18)17-14(20)10(3)23-11-5-4-7-15-13(11)19(21)22/h4-10H,1-3H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 319.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-nitro-3-pyridinyl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 8644554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).