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

C17H22F3N3O3 — CID 71105604

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(N)=O
InChIInChI=1S/C17H22F3N3O3/c1-9(2)7-13(14(21)24)22-15(25)12-6-5-11(17(18,19)20)16(23-12)26-8-10-3-4-10/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H2,21,24)(H,22,25)/t13-/m0/s1
InChIKeyQRPHVTWXSRYQKX-ZDUSSCGKSA-N
MW373.38 g/mol
LogP2.52
Rot. Bonds8

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

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 71105604) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID71105604
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(N)=O
InChIInChI=1S/C17H22F3N3O3/c1-9(2)7-13(14(21)24)22-15(25)12-6-5-11(17(18,19)20)16(23-12)26-8-10-3-4-10/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H2,21,24)(H,22,25)/t13-/m0/s1
InChIKeyQRPHVTWXSRYQKX-ZDUSSCGKSA-N
XLogP2.52
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.52
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]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 71105604) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QRPHVTWXSRYQKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-9(2)7-13(14(21)24)22-15(25)12-6-5-11(17(18,19)20)16(23-12)26-8-10-3-4-10/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H2,21,24)(H,22,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 2.52, 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]-6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).