3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide

C10H15ClN4O — CID 104924164

IUPAC3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-13-10(16)3-4-15(2)9-6-7(12)5-8(11)14-9/h5-6H,3-4H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyGGCAKHDYLLWRKY-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.89
Rot. Bonds4

About 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide

3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide (PubChem CID 104924164) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
PubChem CID104924164
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-13-10(16)3-4-15(2)9-6-7(12)5-8(11)14-9/h5-6H,3-4H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyGGCAKHDYLLWRKY-UHFFFAOYSA-N
XLogP0.89
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917420
2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 104918783
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 91766904
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917442
3-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914232
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
CID 106917443
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 107548252

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide (CID 104924164) is 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(N)cc(Cl)n1.
What is the InChIKey of 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide?
The InChIKey is GGCAKHDYLLWRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-13-10(16)3-4-15(2)9-6-7(12)5-8(11)14-9/h5-6H,3-4H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide?
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide has a molecular weight of 242.71 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 104924164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).