(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone

C9H10ClN3O — CID 130159370

IUPAC(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC2)cc1Cl
InChIInChI=1S/C9H10ClN3O/c10-7-4-6(5-12-8(7)11)9(14)13-2-1-3-13/h4-5H,1-3H2,(H2,11,12)
InChIKeyUKSREFBLULLHDE-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.16
Rot. Bonds1

About (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone

(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone (PubChem CID 130159370) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
PubChem CID130159370
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC2)cc1Cl
InChIInChI=1S/C9H10ClN3O/c10-7-4-6(5-12-8(7)11)9(14)13-2-1-3-13/h4-5H,1-3H2,(H2,11,12)
InChIKeyUKSREFBLULLHDE-UHFFFAOYSA-N
XLogP1.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-amino-5-chloro-3-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 55042155
(5,6-diamino-3-pyridinyl)-piperidin-1-ylmethanone
CID 139832748
azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone
CID 130550489
(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 62155962
(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62160898
methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
CID 175275086
2-[4-(6-amino-5-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 126767599
(6-amino-5-chloro-3-pyridinyl)-[3-(4-bromophenoxy)azetidin-1-yl]methanone
CID 166330434
(6-amino-5-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 55041929
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone?
The IUPAC name of (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone (CID 130159370) is (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone.
What is the SMILES notation for (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone?
The canonical SMILES for (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone is Nc1ncc(C(=O)N2CCC2)cc1Cl.
What is the InChIKey of (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone?
The InChIKey is UKSREFBLULLHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-7-4-6(5-12-8(7)11)9(14)13-2-1-3-13/h4-5H,1-3H2,(H2,11,12).
What are the key properties of (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone?
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone has a molecular weight of 211.65 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone is sourced from PubChem (CID 130159370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).