N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide

C18H25F2N3O2 — CID 171593958

IUPACN-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide
SMILESCNC(=O)C(NC(=O)C(C)C)c1cccc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C18H25F2N3O2/c1-11(2)16(24)23-15(17(25)21-3)14-6-4-5-13(22-14)12-7-9-18(19,20)10-8-12/h4-6,11-12,15H,7-10H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyDTUVTAYHUSHREF-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.93
Rot. Bonds5

About N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide

N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide (PubChem CID 171593958) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide
PubChem CID171593958
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC NameN-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide
SMILESCNC(=O)C(NC(=O)C(C)C)c1cccc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C18H25F2N3O2/c1-11(2)16(24)23-15(17(25)21-3)14-6-4-5-13(22-14)12-7-9-18(19,20)10-8-12/h4-6,11-12,15H,7-10H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyDTUVTAYHUSHREF-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide (CID 171593958) is N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide is CNC(=O)C(NC(=O)C(C)C)c1cccc(C2CCC(F)(F)CC2)n1.
What is the InChIKey of N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is DTUVTAYHUSHREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-11(2)16(24)23-15(17(25)21-3)14-6-4-5-13(22-14)12-7-9-18(19,20)10-8-12/h4-6,11-12,15H,7-10H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide?
N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide has a molecular weight of 353.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(4,4-difluorocyclohexyl)-2-pyridinyl]-2-(methylamino)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 171593958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).