3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide

C11H15ClN4O3 — CID 106917521

IUPAC3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O3/c1-7(11(17)13-2)6-15(3)10-8(16(18)19)4-5-9(12)14-10/h4-5,7H,6H2,1-3H3,(H,13,17)
InChIKeyFSGHVWPNYVPVSX-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.46
Rot. Bonds5

About 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide

3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106917521) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106917521
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O3/c1-7(11(17)13-2)6-15(3)10-8(16(18)19)4-5-9(12)14-10/h4-5,7H,6H2,1-3H3,(H,13,17)
InChIKeyFSGHVWPNYVPVSX-UHFFFAOYSA-N
XLogP1.46
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

1-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]propan-2-ol
CID 62337373
3-[(6-chloro-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103888883
(2R)-3-(5-bromo-N-methyl-2-nitroanilino)-N,2-dimethylpropanamide
CID 97231120
3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917523
N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
CID 43152647
carboxy-(6-chloro-3-nitro-2-pyridinyl)carbamic acid
CID 87550888
3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917464
3-[[6-(ethylamino)-5-nitropyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918722
3-[[5-(1-hydroxyethyl)-3-nitrothiophen-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106916389
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
3-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 54988188
6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide (CID 106917521) is 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is FSGHVWPNYVPVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c1-7(11(17)13-2)6-15(3)10-8(16(18)19)4-5-9(12)14-10/h4-5,7H,6H2,1-3H3,(H,13,17).
What are the key properties of 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide?
3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 286.72 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106917521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).