N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide

C18H18F4N8O — CID 146589121

IUPACN-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(F)cnc1-n1nccn1)C(C)CNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C18H18F4N8O/c1-3-29(11(2)7-24-17-25-8-12(9-26-17)18(20,21)22)16(31)14-6-13(19)10-23-15(14)30-27-4-5-28-30/h4-6,8-11H,3,7H2,1-2H3,(H,24,25,26)
InChIKeyMTCWEDDOKVOVCV-UHFFFAOYSA-N
MW438.39 g/mol
LogP2.57
Rot. Bonds7

About N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide

N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide (PubChem CID 146589121) has the molecular formula C18H18F4N8O and a molecular weight of 438.39 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide
PubChem CID146589121
Molecular FormulaC18H18F4N8O
Molecular Weight438.39 g/mol
Exact Mass438.15
IUPAC NameN-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide
SMILESCCN(C(=O)c1cc(F)cnc1-n1nccn1)C(C)CNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C18H18F4N8O/c1-3-29(11(2)7-24-17-25-8-12(9-26-17)18(20,21)22)16(31)14-6-13(19)10-23-15(14)30-27-4-5-28-30/h4-6,8-11H,3,7H2,1-2H3,(H,24,25,26)
InChIKeyMTCWEDDOKVOVCV-UHFFFAOYSA-N
XLogP2.57
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-3,4-difluoro-2-pyrimidin-2-yl-N-[(2S)-1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]benzamide
CID 137473850
N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
CID 146589961
N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
CID 159703202
N-ethyl-4-phenyl-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyrimidine-5-carboxamide
CID 146588644
5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide
CID 137473849
N,6-dimethyl-3-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butan-2-yl]pyridine-2-carboxamide
CID 146459137
N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide
CID 170241702
N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-methyl-2-(triazol-2-yl)benzamide
CID 146576877
N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 160569720
N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
CID 146578001
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-methyl-2-(triazol-2-yl)benzamide
CID 157107935
[3,3-difluoro-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]-[4-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 130316474

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide (CID 146589121) is N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide is CCN(C(=O)c1cc(F)cnc1-n1nccn1)C(C)CNc1ncc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide?
The InChIKey is MTCWEDDOKVOVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N8O/c1-3-29(11(2)7-24-17-25-8-12(9-26-17)18(20,21)22)16(31)14-6-13(19)10-23-15(14)30-27-4-5-28-30/h4-6,8-11H,3,7H2,1-2H3,(H,24,25,26).
What are the key properties of N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide?
N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide has a molecular weight of 438.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146589121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).