1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one

C17H21N3O — CID 163773189

IUPAC1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one
SMILESC[C@@H]1CC(c2ccncc2N)CC[C@@H]1n1ccccc1=O
InChIInChI=1S/C17H21N3O/c1-12-10-13(14-7-8-19-11-15(14)18)5-6-16(12)20-9-3-2-4-17(20)21/h2-4,7-9,11-13,16H,5-6,10,18H2,1H3/t12-,13?,16+/m1/s1
InChIKeyMIEBGXVEISFDTJ-LRRQEPCHSA-N
MW283.38 g/mol
LogP2.97
Rot. Bonds2

About 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one

1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one (PubChem CID 163773189) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one
PubChem CID163773189
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one
SMILESC[C@@H]1CC(c2ccncc2N)CC[C@@H]1n1ccccc1=O
InChIInChI=1S/C17H21N3O/c1-12-10-13(14-7-8-19-11-15(14)18)5-6-16(12)20-9-3-2-4-17(20)21/h2-4,7-9,11-13,16H,5-6,10,18H2,1H3/t12-,13?,16+/m1/s1
InChIKeyMIEBGXVEISFDTJ-LRRQEPCHSA-N
XLogP2.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one?
The IUPAC name of 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one (CID 163773189) is 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one.
What is the SMILES notation for 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one?
The canonical SMILES for 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one is C[C@@H]1CC(c2ccncc2N)CC[C@@H]1n1ccccc1=O.
What is the InChIKey of 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one?
The InChIKey is MIEBGXVEISFDTJ-LRRQEPCHSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-13(14-7-8-19-11-15(14)18)5-6-16(12)20-9-3-2-4-17(20)21/h2-4,7-9,11-13,16H,5-6,10,18H2,1H3/t12-,13?,16+/m1/s1.
What are the key properties of 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one?
1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-4-(3-amino-4-pyridinyl)-2-methylcyclohexyl]pyridin-2-one is sourced from PubChem (CID 163773189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).