N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide

C15H16Cl2N4O — CID 119042166

IUPACN-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cn1)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H16Cl2N4O/c1-10(15(22)20-14-6-4-12(16)8-19-14)21(2)9-11-3-5-13(17)18-7-11/h3-8,10H,9H2,1-2H3,(H,19,20,22)
InChIKeyWRFDVJGNRQYLHU-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.24
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide

N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide (PubChem CID 119042166) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
PubChem CID119042166
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cn1)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H16Cl2N4O/c1-10(15(22)20-14-6-4-12(16)8-19-14)21(2)9-11-3-5-13(17)18-7-11/h3-8,10H,9H2,1-2H3,(H,19,20,22)
InChIKeyWRFDVJGNRQYLHU-UHFFFAOYSA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 51924065
3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911992
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2,6-dimethylphenyl)propanamide
CID 119042157
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 71983485
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103
(2R)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
CID 124507879
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
2-[2-[(4-chlorophenyl)methyl-methylamino]propanoylamino]thiophene-3-carboxamide
CID 55432559
4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
CID 167951786
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide (CID 119042166) is N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide is CC(C(=O)Nc1ccc(Cl)cn1)N(C)Cc1ccc(Cl)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide?
The InChIKey is WRFDVJGNRQYLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-10(15(22)20-14-6-4-12(16)8-19-14)21(2)9-11-3-5-13(17)18-7-11/h3-8,10H,9H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide?
N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide has a molecular weight of 339.23 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(6-chloro-3-pyridinyl)methyl-methylamino]propanamide is sourced from PubChem (CID 119042166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).