6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C19H15F6N5O — CID 151559195

IUPAC6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESNc1ncc(-c2ccn(CC(F)(F)F)c2)cc1-c1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C19H15F6N5O/c20-18(21,22)9-29-17(31)11-1-2-15(27-6-11)14-5-13(7-28-16(14)26)12-3-4-30(8-12)10-19(23,24)25/h1-8H,9-10H2,(H2,26,28)(H,29,31)
InChIKeyQCCPPQFURWEGIX-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.05
Rot. Bonds5

About 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 151559195) has the molecular formula C19H15F6N5O and a molecular weight of 443.35 g/mol. Its IUPAC name is 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID151559195
Molecular FormulaC19H15F6N5O
Molecular Weight443.35 g/mol
Exact Mass443.12
IUPAC Name6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESNc1ncc(-c2ccn(CC(F)(F)F)c2)cc1-c1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C19H15F6N5O/c20-18(21,22)9-29-17(31)11-1-2-15(27-6-11)14-5-13(7-28-16(14)26)12-3-4-30(8-12)10-19(23,24)25/h1-8H,9-10H2,(H2,26,28)(H,29,31)
InChIKeyQCCPPQFURWEGIX-UHFFFAOYSA-N
XLogP4.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 151559195) is 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Nc1ncc(-c2ccn(CC(F)(F)F)c2)cc1-c1ccc(C(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is QCCPPQFURWEGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N5O/c20-18(21,22)9-29-17(31)11-1-2-15(27-6-11)14-5-13(7-28-16(14)26)12-3-4-30(8-12)10-19(23,24)25/h1-8H,9-10H2,(H2,26,28)(H,29,31).
What are the key properties of 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 443.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 151559195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).