N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide

C11H14N4O3 — CID 83269747

IUPACN-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
SMILESCc1cnc(NCC(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-7-5-12-10(4-9(7)15(17)18)13-6-11(16)14-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,14,16)
InChIKeyHEEGOYOAYVWRQI-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.99
Rot. Bonds5

About N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide

N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide (PubChem CID 83269747) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
PubChem CID83269747
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
SMILESCc1cnc(NCC(=O)NC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-7-5-12-10(4-9(7)15(17)18)13-6-11(16)14-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,14,16)
InChIKeyHEEGOYOAYVWRQI-UHFFFAOYSA-N
XLogP0.99
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-tert-butyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83268004
2-[[2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
CID 83269694
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356
N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide
CID 112768188
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
2-(2,4-dimethyl-5-nitroanilino)-N-(4-methylcyclohexyl)acetamide
CID 112808342
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130818
N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
CID 83268573
2-[(2-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 114044387
N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267136
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide (CID 83269747) is N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide is Cc1cnc(NCC(=O)NC2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is HEEGOYOAYVWRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-5-12-10(4-9(7)15(17)18)13-6-11(16)14-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,14,16).
What are the key properties of N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide?
N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 250.26 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 83269747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).