N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C14H19N3O5 — CID 95775228

IUPACN-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19N3O5/c18-12-4-2-1-3-10(12)7-15-13(19)9-16-8-11(17(21)22)5-6-14(16)20/h5-6,8,10,12,18H,1-4,7,9H2,(H,15,19)/t10-,12+/m1/s1
InChIKeyNHFJTFMWGHWQDA-PWSUYJOCSA-N
MW309.32 g/mol
LogP0.42
Rot. Bonds5

About N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 95775228) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID95775228
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H19N3O5/c18-12-4-2-1-3-10(12)7-15-13(19)9-16-8-11(17(21)22)5-6-14(16)20/h5-6,8,10,12,18H,1-4,7,9H2,(H,15,19)/t10-,12+/m1/s1
InChIKeyNHFJTFMWGHWQDA-PWSUYJOCSA-N
XLogP0.42
TPSA114.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
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-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119604554
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533
2-(5-amino-2-oxo-1-pyridinyl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107416304
N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119643273
1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119356458
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7890107
N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide
CID 60513578
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid
CID 119252743
3-[(2-hydroxycyclohexyl)methylcarbamoyl]-5-nitrobenzoic acid
CID 119185975
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 134021384

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 95775228) is N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is NHFJTFMWGHWQDA-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H19N3O5/c18-12-4-2-1-3-10(12)7-15-13(19)9-16-8-11(17(21)22)5-6-14(16)20/h5-6,8,10,12,18H,1-4,7,9H2,(H,15,19)/t10-,12+/m1/s1.
What are the key properties of N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 309.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 95775228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).