1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one

C12H18ClN3O — CID 79062827

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)c1cc(Cl)cnc1N)N(C)C
InChIInChI=1S/C12H18ClN3O/c1-5-12(2,16(3)4)10(17)9-6-8(13)7-15-11(9)14/h6-7H,5H2,1-4H3,(H2,14,15)
InChIKeyRMTYTRYGGVCSOQ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.23
Rot. Bonds4

About 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one

1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one (PubChem CID 79062827) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one
PubChem CID79062827
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one
SMILESCCC(C)(C(=O)c1cc(Cl)cnc1N)N(C)C
InChIInChI=1S/C12H18ClN3O/c1-5-12(2,16(3)4)10(17)9-6-8(13)7-15-11(9)14/h6-7H,5H2,1-4H3,(H2,14,15)
InChIKeyRMTYTRYGGVCSOQ-UHFFFAOYSA-N
XLogP2.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
CID 116747324
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one
CID 116598749
1-(2-amino-5-chloro-3-pyridinyl)-2-tert-butylsulfanylethanone
CID 65133698
1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
CID 65131200
1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
1-(2-amino-5-chloro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 103455576
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
CID 116553290
2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one
CID 116556739
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-2-methylbutan-1-one
CID 116611000
7-amino-1-(2-amino-5-chloro-3-pyridinyl)heptan-1-one
CID 116551499

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one (CID 79062827) is 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one is CCC(C)(C(=O)c1cc(Cl)cnc1N)N(C)C.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one?
The InChIKey is RMTYTRYGGVCSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-5-12(2,16(3)4)10(17)9-6-8(13)7-15-11(9)14/h6-7H,5H2,1-4H3,(H2,14,15).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one?
1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one has a molecular weight of 255.75 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one is sourced from PubChem (CID 79062827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).