N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide

C18H24F3N3O3 — CID 86674802

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OC(C)C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C18H24F3N3O3/c1-9(2)8-14(15(22)25)23-16(26)13-7-6-12(11-4-5-11)17(24-13)27-10(3)18(19,20)21/h6-7,9-11,14H,4-5,8H2,1-3H3,(H2,22,25)(H,23,26)/t10?,14-/m0/s1
InChIKeyHKAOYHSVKUHTIJ-SBNLOKMTSA-N
MW387.40 g/mol
LogP2.92
Rot. Bonds8

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide (PubChem CID 86674802) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide
PubChem CID86674802
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OC(C)C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C18H24F3N3O3/c1-9(2)8-14(15(22)25)23-16(26)13-7-6-12(11-4-5-11)17(24-13)27-10(3)18(19,20)21/h6-7,9-11,14H,4-5,8H2,1-3H3,(H2,22,25)(H,23,26)/t10?,14-/m0/s1
InChIKeyHKAOYHSVKUHTIJ-SBNLOKMTSA-N
XLogP2.92
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide (CID 86674802) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(OC(C)C(F)(F)F)n1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide?
The InChIKey is HKAOYHSVKUHTIJ-SBNLOKMTSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-9(2)8-14(15(22)25)23-16(26)13-7-6-12(11-4-5-11)17(24-13)27-10(3)18(19,20)21/h6-7,9-11,14H,4-5,8H2,1-3H3,(H2,22,25)(H,23,26)/t10?,14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 86674802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).