2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide

C22H28FN3O2 — CID 168846643

IUPAC2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide
SMILESCc1c(-c2ccc(NC(=O)C(N)C3CCC(C)CC3)cc2F)ccc(=O)n1C
InChIInChI=1S/C22H28FN3O2/c1-13-4-6-15(7-5-13)21(24)22(28)25-16-8-9-18(19(23)12-16)17-10-11-20(27)26(3)14(17)2/h8-13,15,21H,4-7,24H2,1-3H3,(H,25,28)
InChIKeyOBWGTEIDEGMLTP-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.59
Rot. Bonds4

About 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide

2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide (PubChem CID 168846643) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide
PubChem CID168846643
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide
SMILESCc1c(-c2ccc(NC(=O)C(N)C3CCC(C)CC3)cc2F)ccc(=O)n1C
InChIInChI=1S/C22H28FN3O2/c1-13-4-6-15(7-5-13)21(24)22(28)25-16-8-9-18(19(23)12-16)17-10-11-20(27)26(3)14(17)2/h8-13,15,21H,4-7,24H2,1-3H3,(H,25,28)
InChIKeyOBWGTEIDEGMLTP-UHFFFAOYSA-N
XLogP3.59
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide (CID 168846643) is 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide is Cc1c(-c2ccc(NC(=O)C(N)C3CCC(C)CC3)cc2F)ccc(=O)n1C.
What is the InChIKey of 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide?
The InChIKey is OBWGTEIDEGMLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-13-4-6-15(7-5-13)21(24)22(28)25-16-8-9-18(19(23)12-16)17-10-11-20(27)26(3)14(17)2/h8-13,15,21H,4-7,24H2,1-3H3,(H,25,28).
What are the key properties of 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide?
2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide has a molecular weight of 385.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)-3-fluorophenyl]-2-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 168846643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).