5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide

C10H13ClN4O3 — CID 106238716

IUPAC5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
SMILESNC(=O)CCCCNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13ClN4O3/c11-7-5-8(15(17)18)10(14-6-7)13-4-2-1-3-9(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14)
InChIKeyVTNDMXPMRQLQBJ-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.71
Rot. Bonds7

About 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide

5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide (PubChem CID 106238716) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
PubChem CID106238716
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
SMILESNC(=O)CCCCNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13ClN4O3/c11-7-5-8(15(17)18)10(14-6-7)13-4-2-1-3-9(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14)
InChIKeyVTNDMXPMRQLQBJ-UHFFFAOYSA-N
XLogP1.71
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.71
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

4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
6-[(5-amino-5-oxopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106237764
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
2-[(5-chloro-3-nitro-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338860
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
N-[(4-aminophenyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 116650490
5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine
CID 103081481
3,5-dinitro-N-octadecylpyridin-2-amine
CID 22155759
2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
CID 115308283
N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 115301549
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 86807809

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide?
The IUPAC name of 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide (CID 106238716) is 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide.
What is the SMILES notation for 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide?
The canonical SMILES for 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide is NC(=O)CCCCNc1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide?
The InChIKey is VTNDMXPMRQLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c11-7-5-8(15(17)18)10(14-6-7)13-4-2-1-3-9(12)16/h5-6H,1-4H2,(H2,12,16)(H,13,14).
What are the key properties of 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide?
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide has a molecular weight of 272.69 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide is sourced from PubChem (CID 106238716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).