2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C23H23F3N4O2 — CID 10138383

IUPAC2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCc1ccc(NC(=O)c2cccnc2NCc2ccc(OC)nc2)cc1C(F)(F)F
InChIInChI=1S/C23H23F3N4O2/c1-3-5-16-8-9-17(12-19(16)23(24,25)26)30-22(31)18-6-4-11-27-21(18)29-14-15-7-10-20(32-2)28-13-15/h4,6-13H,3,5,14H2,1-2H3,(H,27,29)(H,30,31)
InChIKeySROGXBDSTRHYPA-UHFFFAOYSA-N
MW444.46 g/mol
LogP5.32
Rot. Bonds8

About 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 10138383) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID10138383
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCc1ccc(NC(=O)c2cccnc2NCc2ccc(OC)nc2)cc1C(F)(F)F
InChIInChI=1S/C23H23F3N4O2/c1-3-5-16-8-9-17(12-19(16)23(24,25)26)30-22(31)18-6-4-11-27-21(18)29-14-15-7-10-20(32-2)28-13-15/h4,6-13H,3,5,14H2,1-2H3,(H,27,29)(H,30,31)
InChIKeySROGXBDSTRHYPA-UHFFFAOYSA-N
XLogP5.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 10138383) is 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCCc1ccc(NC(=O)c2cccnc2NCc2ccc(OC)nc2)cc1C(F)(F)F.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is SROGXBDSTRHYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-3-5-16-8-9-17(12-19(16)23(24,25)26)30-22(31)18-6-4-11-27-21(18)29-14-15-7-10-20(32-2)28-13-15/h4,6-13H,3,5,14H2,1-2H3,(H,27,29)(H,30,31).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methylamino]-N-[4-propyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10138383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).