2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C24H23F3N4O4 — CID 59997001

IUPAC2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1cc(CNc2ncccc2C(=O)Nc2cc(O[C@@H]3CCOC3)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C24H23F3N4O4/c1-33-21-9-15(4-7-28-21)13-30-22-20(3-2-6-29-22)23(32)31-17-10-16(24(25,26)27)11-19(12-17)35-18-5-8-34-14-18/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,29,30)(H,31,32)/t18-/m1/s1
InChIKeyPWMGQQBCTWQALJ-GOSISDBHSA-N
MW488.47 g/mol
LogP4.54
Rot. Bonds8

About 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 59997001) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID59997001
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC Name2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1cc(CNc2ncccc2C(=O)Nc2cc(O[C@@H]3CCOC3)cc(C(F)(F)F)c2)ccn1
InChIInChI=1S/C24H23F3N4O4/c1-33-21-9-15(4-7-28-21)13-30-22-20(3-2-6-29-22)23(32)31-17-10-16(24(25,26)27)11-19(12-17)35-18-5-8-34-14-18/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,29,30)(H,31,32)/t18-/m1/s1
InChIKeyPWMGQQBCTWQALJ-GOSISDBHSA-N
XLogP4.54
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 59997001) is 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COc1cc(CNc2ncccc2C(=O)Nc2cc(O[C@@H]3CCOC3)cc(C(F)(F)F)c2)ccn1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is PWMGQQBCTWQALJ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-33-21-9-15(4-7-28-21)13-30-22-20(3-2-6-29-22)23(32)31-17-10-16(24(25,26)27)11-19(12-17)35-18-5-8-34-14-18/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,29,30)(H,31,32)/t18-/m1/s1.
What are the key properties of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 488.47 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59997001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).