3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

C17H18F3N5O2 — CID 122535135

IUPAC3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nccnc1NC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)13-5-4-11(9-23-13)25-16(27)14-15(22-7-6-21-14)24-8-10-2-1-3-12(10)26/h4-7,9-10,12,26H,1-3,8H2,(H,22,24)(H,25,27)/t10-,12-/m0/s1
InChIKeyPGWCVRPMFKRLPQ-JQWIXIFHSA-N
MW381.36 g/mol
LogP2.72
Rot. Bonds5

About 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide

3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (PubChem CID 122535135) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
PubChem CID122535135
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nccnc1NC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)13-5-4-11(9-23-13)25-16(27)14-15(22-7-6-21-14)24-8-10-2-1-3-12(10)26/h4-7,9-10,12,26H,1-3,8H2,(H,22,24)(H,25,27)/t10-,12-/m0/s1
InChIKeyPGWCVRPMFKRLPQ-JQWIXIFHSA-N
XLogP2.72
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 162597047
3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 122516055
N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide
CID 145152890
N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide
CID 122516746
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
2-[(2-hydroxycyclopentyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133324096
2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide
CID 82795257
N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212260
3-(3-methylimidazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 171571731
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide (CID 122535135) is 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1nccnc1NC[C@@H]1CCC[C@@H]1O.
What is the InChIKey of 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is PGWCVRPMFKRLPQ-JQWIXIFHSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c18-17(19,20)13-5-4-11(9-23-13)25-16(27)14-15(22-7-6-21-14)24-8-10-2-1-3-12(10)26/h4-7,9-10,12,26H,1-3,8H2,(H,22,24)(H,25,27)/t10-,12-/m0/s1.
What are the key properties of 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide?
3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 381.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 122535135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).