4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C17H18F3N5O2 — CID 67980208

IUPAC4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cncc(NCC3CCOCC3)n2)c(C(F)(F)F)cn1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)12-7-23-13(16(21)26)5-11(12)14-8-22-9-15(25-14)24-6-10-1-3-27-4-2-10/h5,7-10H,1-4,6H2,(H2,21,26)(H,24,25)
InChIKeyYJTXAZKPUNLIRL-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.49
Rot. Bonds5

About 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 67980208) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID67980208
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cncc(NCC3CCOCC3)n2)c(C(F)(F)F)cn1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)12-7-23-13(16(21)26)5-11(12)14-8-22-9-15(25-14)24-6-10-1-3-27-4-2-10/h5,7-10H,1-4,6H2,(H2,21,26)(H,24,25)
InChIKeyYJTXAZKPUNLIRL-UHFFFAOYSA-N
XLogP2.49
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 77407692
6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 67033343
5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide
CID 67969231
methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone
CID 149306145
2-N-(oxan-4-ylmethyl)pyrazine-2,6-diamine
CID 78989247
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide
CID 67034230
5-chloro-4-[6-[[(2R)-2-hydroxypropyl]amino]pyrazin-2-yl]pyridine-2-carboxamide
CID 67980338
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
CID 141286283
methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67980053

Frequently Asked Questions

What is the IUPAC name of 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 67980208) is 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is NC(=O)c1cc(-c2cncc(NCC3CCOCC3)n2)c(C(F)(F)F)cn1.
What is the InChIKey of 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YJTXAZKPUNLIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c18-17(19,20)12-7-23-13(16(21)26)5-11(12)14-8-22-9-15(25-14)24-6-10-1-3-27-4-2-10/h5,7-10H,1-4,6H2,(H2,21,26)(H,24,25).
What are the key properties of 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 381.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 67980208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).