3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide

C10H14ClN3O — CID 115683654

IUPAC3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN3O/c1-12-10(15)4-5-13-6-8-2-3-9(11)14-7-8/h2-3,7,13H,4-6H2,1H3,(H,12,15)
InChIKeyVIUROCLKELRXSH-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.96
Rot. Bonds5

About 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide

3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide (PubChem CID 115683654) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
PubChem CID115683654
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN3O/c1-12-10(15)4-5-13-6-8-2-3-9(11)14-7-8/h2-3,7,13H,4-6H2,1H3,(H,12,15)
InChIKeyVIUROCLKELRXSH-UHFFFAOYSA-N
XLogP0.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62996029
3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 115678460
N-[(6-chloro-3-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 115683638
3-(furan-3-ylmethylamino)-N-methylpropanamide
CID 63204466
3-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79783660
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
CID 104588324
3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115641584
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115683712
5-[(6-chloro-3-pyridinyl)methylamino]pent-3-enoic acid
CID 150537732
2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide
CID 115919826
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide (CID 115683654) is 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide is CNC(=O)CCNCc1ccc(Cl)nc1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide?
The InChIKey is VIUROCLKELRXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-12-10(15)4-5-13-6-8-2-3-9(11)14-7-8/h2-3,7,13H,4-6H2,1H3,(H,12,15).
What are the key properties of 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide?
3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide has a molecular weight of 227.69 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 115683654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).