4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one

C9H12ClN3O — CID 116553290

IUPAC4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
SMILESNCCCC(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C9H12ClN3O/c10-6-4-7(9(12)13-5-6)8(14)2-1-3-11/h4-5H,1-3,11H2,(H2,12,13)
InChIKeyWHRQZLHXWJBBDU-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.24
Rot. Bonds4

About 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one

4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one (PubChem CID 116553290) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
PubChem CID116553290
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
SMILESNCCCC(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C9H12ClN3O/c10-6-4-7(9(12)13-5-6)8(14)2-1-3-11/h4-5H,1-3,11H2,(H2,12,13)
InChIKeyWHRQZLHXWJBBDU-UHFFFAOYSA-N
XLogP1.24
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-1-(2-amino-5-chloro-3-pyridinyl)heptan-1-one
CID 116551499
1-(2-amino-5-chloro-3-pyridinyl)-3-(3-aminophenyl)propan-1-one
CID 116603375
1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
CID 65131200
7-amino-1-(2,5-dichlorophenyl)heptan-1-one
CID 116551494
1-(2-amino-5-chloro-3-pyridinyl)-2-tert-butylsulfanylethanone
CID 65133698
1-(2-amino-5-chloro-3-pyridinyl)-2-(cyclopropylmethylamino)ethanone
CID 116557644
1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone
CID 65138738
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
(2-amino-5-chloro-3-pyridinyl)-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 116585485
2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one
CID 116556739
1-(2-amino-5-chloro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 103455576

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one?
The IUPAC name of 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one (CID 116553290) is 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one.
What is the SMILES notation for 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one?
The canonical SMILES for 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one is NCCCC(=O)c1cc(Cl)cnc1N.
What is the InChIKey of 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one?
The InChIKey is WHRQZLHXWJBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-6-4-7(9(12)13-5-6)8(14)2-1-3-11/h4-5H,1-3,11H2,(H2,12,13).
What are the key properties of 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one?
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one has a molecular weight of 213.67 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116553290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).