3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide

C17H15F6N5O2 — CID 118308177

IUPAC3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ncccc1OC(F)(F)F
InChIInChI=1S/C17H15F6N5O2/c18-16(19,20)12-7-26-13(8-25-12)27-9-3-1-4-10(9)28-15(29)14-11(5-2-6-24-14)30-17(21,22)23/h2,5-10H,1,3-4H2,(H,26,27)(H,28,29)/t9-,10-/m0/s1
InChIKeyZHBMNTVRIQHVHC-UWVGGRQHSA-N
MW435.33 g/mol
LogP3.55
Rot. Bonds5

About 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide

3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide (PubChem CID 118308177) has the molecular formula C17H15F6N5O2 and a molecular weight of 435.33 g/mol. Its IUPAC name is 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide
PubChem CID118308177
Molecular FormulaC17H15F6N5O2
Molecular Weight435.33 g/mol
Exact Mass435.11
IUPAC Name3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ncccc1OC(F)(F)F
InChIInChI=1S/C17H15F6N5O2/c18-16(19,20)12-7-26-13(8-25-12)27-9-3-1-4-10(9)28-15(29)14-11(5-2-6-24-14)30-17(21,22)23/h2,5-10H,1,3-4H2,(H,26,27)(H,28,29)/t9-,10-/m0/s1
InChIKeyZHBMNTVRIQHVHC-UWVGGRQHSA-N
XLogP3.55
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
[(1R,4S,6R)-4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-propoxy-2-pyridinyl)methanone
CID 46218796
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873207
3-amino-N-[3-(4-amino-3-fluoropiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873314
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 60197822
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823
N-(6-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197825
N-(6-ethyl-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60198043
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyridine-2-carboxamide
CID 60198048
3-amino-N-[3-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873266
N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
CID 118707833
2-[[6-[(5-Amino-2-pyridinyl)amino]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 168299203

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide (CID 118308177) is 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide is O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ncccc1OC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
The InChIKey is ZHBMNTVRIQHVHC-UWVGGRQHSA-N. The full InChI is InChI=1S/C17H15F6N5O2/c18-16(19,20)12-7-26-13(8-25-12)27-9-3-1-4-10(9)28-15(29)14-11(5-2-6-24-14)30-17(21,22)23/h2,5-10H,1,3-4H2,(H,26,27)(H,28,29)/t9-,10-/m0/s1.
What are the key properties of 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide?
3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide has a molecular weight of 435.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 118308177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).