2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide

C10H15ClN4O — CID 104918783

IUPAC2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-14(2)10(16)6-15(3)9-5-7(12)4-8(11)13-9/h4-5H,6H2,1-3H3,(H2,12,13)
InChIKeyUZTTZTFKMYLEJZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.84
Rot. Bonds3

About 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide

2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide (PubChem CID 104918783) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
PubChem CID104918783
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cc(N)cc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-14(2)10(16)6-15(3)9-5-7(12)4-8(11)13-9/h4-5H,6H2,1-3H3,(H2,12,13)
InChIKeyUZTTZTFKMYLEJZ-UHFFFAOYSA-N
XLogP0.84
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.84
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

3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 80778671
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 114562244
2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide
CID 43451019
2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114070570
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114090087
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 80954139
N,N-dimethyl-2-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779921
N,N-dimethyl-2-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779138
6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine
CID 104924252
2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide
CID 31537862
2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 43374936

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide (CID 104918783) is 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1cc(N)cc(Cl)n1.
What is the InChIKey of 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is UZTTZTFKMYLEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-14(2)10(16)6-15(3)9-5-7(12)4-8(11)13-9/h4-5H,6H2,1-3H3,(H2,12,13).
What are the key properties of 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide?
2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 242.71 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 104918783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).