N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide

C12H16N4O3 — CID 78920193

IUPACN-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide
SMILESO=C(CCCNc1ccncc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C12H16N4O3/c17-12(15-9-3-4-9)2-1-6-14-10-5-7-13-8-11(10)16(18)19/h5,7-9H,1-4,6H2,(H,13,14)(H,15,17)
InChIKeyUFAHLJDKUICCSJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.46
Rot. Bonds7

About N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide

N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide (PubChem CID 78920193) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide
PubChem CID78920193
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide
SMILESO=C(CCCNc1ccncc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C12H16N4O3/c17-12(15-9-3-4-9)2-1-6-14-10-5-7-13-8-11(10)16(18)19/h5,7-9H,1-4,6H2,(H,13,14)(H,15,17)
InChIKeyUFAHLJDKUICCSJ-UHFFFAOYSA-N
XLogP1.46
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361
1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol
CID 63239113
N-(8-hexoxyoctyl)-3-nitropyridin-4-amine
CID 90319518
N-[3-(4-methylpiperazin-1-yl)propyl]-3-nitropyridin-4-amine
CID 134098351
4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 80849403
N-(2-butoxyethyl)-3-nitropyridin-4-amine
CID 61175883
3-nitro-N-(3-piperazin-1-ylpropyl)pyridin-4-amine
CID 43443436
N-[4-(cyclopropylamino)-4-oxobutyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070639
N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine
CID 115637264

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide (CID 78920193) is N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide is O=C(CCCNc1ccncc1[N+](=O)[O-])NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide?
The InChIKey is UFAHLJDKUICCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-12(15-9-3-4-9)2-1-6-14-10-5-7-13-8-11(10)16(18)19/h5,7-9H,1-4,6H2,(H,13,14)(H,15,17).
What are the key properties of N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide?
N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide has a molecular weight of 264.28 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide is sourced from PubChem (CID 78920193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).