N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide

C9H13N5O3 — CID 39161951

IUPACN-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
SMILESNCCNC(=O)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N5O3/c10-3-4-11-9(15)6-13-8-2-1-7(5-12-8)14(16)17/h1-2,5H,3-4,6,10H2,(H,11,15)(H,12,13)
InChIKeyBWYPSAANDZAZIH-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.52
Rot. Bonds6

About N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide

N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide (PubChem CID 39161951) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
PubChem CID39161951
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC NameN-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
SMILESNCCNC(=O)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N5O3/c10-3-4-11-9(15)6-13-8-2-1-7(5-12-8)14(16)17/h1-2,5H,3-4,6,10H2,(H,11,15)(H,12,13)
InChIKeyBWYPSAANDZAZIH-UHFFFAOYSA-N
XLogP-0.52
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
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

4-[[2-[(5-nitro-2-pyridinyl)amino]acetyl]amino]butanoic acid
CID 39186323
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
3-methyl-2-[[2-[(5-nitro-2-pyridinyl)amino]acetyl]amino]butanoic acid
CID 82032786
2-[[5-(aminomethyl)thiophen-2-yl]sulfonylamino]-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 69038973
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine
CID 67561666
N-(4-bromo-2-methylphenyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 32680618
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
N-butan-2-yl-3-[(5-nitro-2-pyridinyl)amino]propanamide
CID 47282818

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide (CID 39161951) is N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide is NCCNC(=O)CNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is BWYPSAANDZAZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-3-4-11-9(15)6-13-8-2-1-7(5-12-8)14(16)17/h1-2,5H,3-4,6,10H2,(H,11,15)(H,12,13).
What are the key properties of N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide?
N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 239.23 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(5-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 39161951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).