3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide

C10H14ClN3O — CID 115641584

IUPAC3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1cccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-12-9(15)4-6-13-7-8-3-2-5-14-10(8)11/h2-3,5,13H,4,6-7H2,1H3,(H,12,15)
InChIKeyVUNNABQQAVXGSS-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.96
Rot. Bonds5

About 3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide

3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide (PubChem CID 115641584) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
PubChem CID115641584
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1cccnc1Cl
InChIInChI=1S/C10H14ClN3O/c1-12-9(15)4-6-13-7-8-3-2-5-14-10(8)11/h2-3,5,13H,4,6-7H2,1H3,(H,12,15)
InChIKeyVUNNABQQAVXGSS-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-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096
2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride
CID 115614180
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol
CID 82681883
2-[[[3-(methylamino)-3-oxopropyl]amino]methyl]benzoic acid
CID 103245961
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639168
3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115683654
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62996029

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide (CID 115641584) is 3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide is CNC(=O)CCNCc1cccnc1Cl.
What is the InChIKey of 3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide?
The InChIKey is VUNNABQQAVXGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-12-9(15)4-6-13-7-8-3-2-5-14-10(8)11/h2-3,5,13H,4,6-7H2,1H3,(H,12,15).
What are the key properties of 3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide?
3-[(2-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-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 115641584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).