N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C13H18N4O4 — CID 119604554

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESNCC1CCCC1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C13H18N4O4/c14-6-9-2-1-3-11(9)15-12(18)8-16-7-10(17(20)21)4-5-13(16)19/h4-5,7,9,11H,1-3,6,8,14H2,(H,15,18)
InChIKeyYNNLBAOGACDIFP-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.00
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 119604554) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID119604554
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESNCC1CCCC1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C13H18N4O4/c14-6-9-2-1-3-11(9)15-12(18)8-16-7-10(17(20)21)4-5-13(16)19/h4-5,7,9,11H,1-3,6,8,14H2,(H,15,18)
InChIKeyYNNLBAOGACDIFP-UHFFFAOYSA-N
XLogP0.00
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.00
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-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 95775228
N-[2-(aminomethyl)cyclohexyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 119611368
N-[2-(aminomethyl)cyclopentyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119601338
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7890107
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 119609406
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
N-[2-(aminomethyl)cyclohexyl]-4-(4-nitroanilino)butanamide;hydrochloride
CID 119611458
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
N-[2-(aminomethyl)cyclopentyl]-2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride
CID 119601957
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
CID 119602955
1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 25490131

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 119604554) is N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is NCC1CCCC1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is YNNLBAOGACDIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c14-6-9-2-1-3-11(9)15-12(18)8-16-7-10(17(20)21)4-5-13(16)19/h4-5,7,9,11H,1-3,6,8,14H2,(H,15,18).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 119604554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).