6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide

C16H14F5N5O2 — CID 155352162

IUPAC6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
SMILESCOc1ncc(Nc2cc(F)nc(F)c2)nc1C(=O)NCC1(C(F)(F)F)CC1
InChIInChI=1S/C16H14F5N5O2/c1-28-14-12(13(27)23-7-15(2-3-15)16(19,20)21)26-11(6-22-14)24-8-4-9(17)25-10(18)5-8/h4-6H,2-3,7H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyLXNRYCZPEGJRAR-UHFFFAOYSA-N
MW403.31 g/mol
LogP2.97
Rot. Bonds6

About 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide

6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide (PubChem CID 155352162) has the molecular formula C16H14F5N5O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
PubChem CID155352162
Molecular FormulaC16H14F5N5O2
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide
SMILESCOc1ncc(Nc2cc(F)nc(F)c2)nc1C(=O)NCC1(C(F)(F)F)CC1
InChIInChI=1S/C16H14F5N5O2/c1-28-14-12(13(27)23-7-15(2-3-15)16(19,20)21)26-11(6-22-14)24-8-4-9(17)25-10(18)5-8/h4-6H,2-3,7H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyLXNRYCZPEGJRAR-UHFFFAOYSA-N
XLogP2.97
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide (CID 155352162) is 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide is COc1ncc(Nc2cc(F)nc(F)c2)nc1C(=O)NCC1(C(F)(F)F)CC1.
What is the InChIKey of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide?
The InChIKey is LXNRYCZPEGJRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5N5O2/c1-28-14-12(13(27)23-7-15(2-3-15)16(19,20)21)26-11(6-22-14)24-8-4-9(17)25-10(18)5-8/h4-6H,2-3,7H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide?
6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155352162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).