2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide

C15H15F3N4O2 — CID 139506755

IUPAC2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide
SMILESCC(N)C(=O)NCc1cc(-c2ccc(C(F)(F)F)cn2)c(O)cn1
InChIInChI=1S/C15H15F3N4O2/c1-8(19)14(24)22-6-10-4-11(13(23)7-20-10)12-3-2-9(5-21-12)15(16,17)18/h2-5,7-8,23H,6,19H2,1H3,(H,22,24)
InChIKeyXRIHOKRNTJVQTC-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide

2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide (PubChem CID 139506755) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide
PubChem CID139506755
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide
SMILESCC(N)C(=O)NCc1cc(-c2ccc(C(F)(F)F)cn2)c(O)cn1
InChIInChI=1S/C15H15F3N4O2/c1-8(19)14(24)22-6-10-4-11(13(23)7-20-10)12-3-2-9(5-21-12)15(16,17)18/h2-5,7-8,23H,6,19H2,1H3,(H,22,24)
InChIKeyXRIHOKRNTJVQTC-UHFFFAOYSA-N
XLogP1.83
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide
CID 137097525
(2S)-2-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]propanamide
CID 81196961
(2S)-2-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119339310
N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide
CID 167780681
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
1-[2,6-dichloro-4-(1,1-difluoro-2-hydroxypropyl)phenyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 130274811
5-(aminomethyl)-1-propan-2-yl-3-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 137353407
3-amino-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]butanamide
CID 119894014
N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 154512497
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
(2S)-2-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]propanamide
CID 122685701

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide?
The IUPAC name of 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide (CID 139506755) is 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide is CC(N)C(=O)NCc1cc(-c2ccc(C(F)(F)F)cn2)c(O)cn1.
What is the InChIKey of 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide?
The InChIKey is XRIHOKRNTJVQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-8(19)14(24)22-6-10-4-11(13(23)7-20-10)12-3-2-9(5-21-12)15(16,17)18/h2-5,7-8,23H,6,19H2,1H3,(H,22,24).
What are the key properties of 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide?
2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide has a molecular weight of 340.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-hydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]propanamide is sourced from PubChem (CID 139506755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).