N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide

C12H16N4O4 — CID 115321580

IUPACN-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
SMILESCOc1ccc([N+](=O)[O-])c(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H16N4O4/c1-20-11-5-4-9(16(18)19)12(15-11)13-7-6-10(17)14-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)(H,14,17)
InChIKeyBLPUGIDBACQZML-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.08
Rot. Bonds7

About N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide

N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide (PubChem CID 115321580) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
PubChem CID115321580
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC NameN-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
SMILESCOc1ccc([N+](=O)[O-])c(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H16N4O4/c1-20-11-5-4-9(16(18)19)12(15-11)13-7-6-10(17)14-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)(H,14,17)
InChIKeyBLPUGIDBACQZML-UHFFFAOYSA-N
XLogP1.08
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.08
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

3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-N-cyclopropylpropanamide
CID 79401201
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
N'-cyclopropyl-N'-ethyl-N-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 103739551

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide (CID 115321580) is N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide is COc1ccc([N+](=O)[O-])c(NCCC(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is BLPUGIDBACQZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-20-11-5-4-9(16(18)19)12(15-11)13-7-6-10(17)14-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)(H,14,17).
What are the key properties of N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide?
N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 280.28 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 115321580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).