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

C10H13ClN4O — CID 168661138

IUPAC1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncc(Cl)cc2N)C1
InChIInChI=1S/C10H13ClN4O/c11-7-2-8(13)10(14-4-7)15-5-6(3-12)1-9(15)16/h2,4,6H,1,3,5,12-13H2
InChIKeyONYIBTCUHOYAIK-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.63
Rot. Bonds2

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

1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one (PubChem CID 168661138) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
PubChem CID168661138
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncc(Cl)cc2N)C1
InChIInChI=1S/C10H13ClN4O/c11-7-2-8(13)10(14-4-7)15-5-6(3-12)1-9(15)16/h2,4,6H,1,3,5,12-13H2
InChIKeyONYIBTCUHOYAIK-UHFFFAOYSA-N
XLogP0.63
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677543
1-(3-amino-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715947
1-(2-amino-4-chlorophenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168660818
1-(3-bromo-5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663833
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682856
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978
4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168661090
[1-(5-chloro-3-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676808
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367
4-(azidomethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168657546

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one (CID 168661138) is 1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one is NCC1CC(=O)N(c2ncc(Cl)cc2N)C1.
What is the InChIKey of 1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one?
The InChIKey is ONYIBTCUHOYAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-7-2-8(13)10(14-4-7)15-5-6(3-12)1-9(15)16/h2,4,6H,1,3,5,12-13H2.
What are the key properties of 1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one?
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one has a molecular weight of 240.69 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 168661138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).