N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide

C11H15N3O4 — CID 19759381

IUPACN-(6-methoxy-3-nitro-2-pyridinyl)pentanamide
SMILESCCCCC(=O)Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-3-4-5-9(15)12-11-8(14(16)17)6-7-10(13-11)18-2/h6-7H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyUKWHVQSEWZEBHX-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.13
Rot. Bonds6

About N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide

N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide (PubChem CID 19759381) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide.

Molecular Properties

Compound NameN-(6-methoxy-3-nitro-2-pyridinyl)pentanamide
PubChem CID19759381
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(6-methoxy-3-nitro-2-pyridinyl)pentanamide
SMILESCCCCC(=O)Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-3-4-5-9(15)12-11-8(14(16)17)6-7-10(13-11)18-2/h6-7H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyUKWHVQSEWZEBHX-UHFFFAOYSA-N
XLogP2.13
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
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

2-(2-chlorophenyl)-N-(6-methoxy-3-nitro-2-pyridinyl)acetamide
CID 141373266
N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
CID 115321441
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
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
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
N-(6-chloro-3-nitro-2-pyridinyl)-4-ethoxybutanamide
CID 104820471
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
CID 104820229

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide?
The IUPAC name of N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide (CID 19759381) is N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide.
What is the SMILES notation for N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide?
The canonical SMILES for N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide is CCCCC(=O)Nc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide?
The InChIKey is UKWHVQSEWZEBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-4-5-9(15)12-11-8(14(16)17)6-7-10(13-11)18-2/h6-7H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide?
N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide has a molecular weight of 253.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide is sourced from PubChem (CID 19759381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).