1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one

C16H25N3O — CID 79549728

IUPAC1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one
SMILESCn1cc(NC2CCCCC2C2CCCN2)ccc1=O
InChIInChI=1S/C16H25N3O/c1-19-11-12(8-9-16(19)20)18-15-6-3-2-5-13(15)14-7-4-10-17-14/h8-9,11,13-15,17-18H,2-7,10H2,1H3
InChIKeyWEXZHOSJVBDNKZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.11
Rot. Bonds3

About 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one

1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one (PubChem CID 79549728) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one
PubChem CID79549728
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one
SMILESCn1cc(NC2CCCCC2C2CCCN2)ccc1=O
InChIInChI=1S/C16H25N3O/c1-19-11-12(8-9-16(19)20)18-15-6-3-2-5-13(15)14-7-4-10-17-14/h8-9,11,13-15,17-18H,2-7,10H2,1H3
InChIKeyWEXZHOSJVBDNKZ-UHFFFAOYSA-N
XLogP2.11
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one (CID 79549728) is 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one is Cn1cc(NC2CCCCC2C2CCCN2)ccc1=O.
What is the InChIKey of 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one?
The InChIKey is WEXZHOSJVBDNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19-11-12(8-9-16(19)20)18-15-6-3-2-5-13(15)14-7-4-10-17-14/h8-9,11,13-15,17-18H,2-7,10H2,1H3.
What are the key properties of 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one?
1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]pyridin-2-one is sourced from PubChem (CID 79549728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).