2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide

C11H17ClN4O — CID 62892874

IUPAC2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C11H17ClN4O/c1-15(2)11(17)7-16(3)6-9-8(12)4-5-10(13)14-9/h4-5H,6-7H2,1-3H3,(H2,13,14)
InChIKeyHYDFOIBSRFPQQJ-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.84
Rot. Bonds4

About 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide

2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 62892874) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide
PubChem CID62892874
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1nc(N)ccc1Cl
InChIInChI=1S/C11H17ClN4O/c1-15(2)11(17)7-16(3)6-9-8(12)4-5-10(13)14-9/h4-5H,6-7H2,1-3H3,(H2,13,14)
InChIKeyHYDFOIBSRFPQQJ-UHFFFAOYSA-N
XLogP0.84
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide (CID 62892874) is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide is CN(CC(=O)N(C)C)Cc1nc(N)ccc1Cl.
What is the InChIKey of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is HYDFOIBSRFPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-15(2)11(17)7-16(3)6-9-8(12)4-5-10(13)14-9/h4-5H,6-7H2,1-3H3,(H2,13,14).
What are the key properties of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide?
2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 256.74 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62892874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).