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

C21H24FN3O3 — CID 71105642

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(Oc2ccc(F)cc2)n1)C(N)=O
InChIInChI=1S/C21H24FN3O3/c1-12(2)11-18(19(23)26)24-20(27)17-10-9-16(13-3-4-13)21(25-17)28-15-7-5-14(22)6-8-15/h5-10,12-13,18H,3-4,11H2,1-2H3,(H2,23,26)(H,24,27)/t18-/m0/s1
InChIKeyHUWHXCHMJDPPHM-SFHVURJKSA-N
MW385.44 g/mol
LogP3.52
Rot. Bonds8

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

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide (PubChem CID 71105642) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide
PubChem CID71105642
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(Oc2ccc(F)cc2)n1)C(N)=O
InChIInChI=1S/C21H24FN3O3/c1-12(2)11-18(19(23)26)24-20(27)17-10-9-16(13-3-4-13)21(25-17)28-15-7-5-14(22)6-8-15/h5-10,12-13,18H,3-4,11H2,1-2H3,(H2,23,26)(H,24,27)/t18-/m0/s1
InChIKeyHUWHXCHMJDPPHM-SFHVURJKSA-N
XLogP3.52
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.52
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-(4-fluorophenoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide (CID 71105642) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc(C2CC2)c(Oc2ccc(F)cc2)n1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide?
The InChIKey is HUWHXCHMJDPPHM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-12(2)11-18(19(23)26)24-20(27)17-10-9-16(13-3-4-13)21(25-17)28-15-7-5-14(22)6-8-15/h5-10,12-13,18H,3-4,11H2,1-2H3,(H2,23,26)(H,24,27)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.52, 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-(4-fluorophenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71105642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).