N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C29H32F3N5O3 — CID 118887125

IUPACN-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCN(C)CC2)c(N2CCOCC2)c1
InChIInChI=1S/C29H32F3N5O3/c1-19-25(16-23(18-33-19)35-27(38)20-4-3-5-22(14-20)29(30,31)32)21-15-26(37-10-12-39-13-11-37)28(34-17-21)40-24-6-8-36(2)9-7-24/h3-5,14-18,24H,6-13H2,1-2H3,(H,35,38)
InChIKeyUIRCCAIAGZZFFR-UHFFFAOYSA-N
MW555.60 g/mol
LogP5.03
Rot. Bonds6

About N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 118887125) has the molecular formula C29H32F3N5O3 and a molecular weight of 555.60 g/mol. Its IUPAC name is N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID118887125
Molecular FormulaC29H32F3N5O3
Molecular Weight555.60 g/mol
Exact Mass555.25
IUPAC NameN-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCN(C)CC2)c(N2CCOCC2)c1
InChIInChI=1S/C29H32F3N5O3/c1-19-25(16-23(18-33-19)35-27(38)20-4-3-5-22(14-20)29(30,31)32)21-15-26(37-10-12-39-13-11-37)28(34-17-21)40-24-6-8-36(2)9-7-24/h3-5,14-18,24H,6-13H2,1-2H3,(H,35,38)
InChIKeyUIRCCAIAGZZFFR-UHFFFAOYSA-N
XLogP5.03
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.60
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 118887125) is N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCN(C)CC2)c(N2CCOCC2)c1.
What is the InChIKey of N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UIRCCAIAGZZFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O3/c1-19-25(16-23(18-33-19)35-27(38)20-4-3-5-22(14-20)29(30,31)32)21-15-26(37-10-12-39-13-11-37)28(34-17-21)40-24-6-8-36(2)9-7-24/h3-5,14-18,24H,6-13H2,1-2H3,(H,35,38).
What are the key properties of N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 555.60 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 118887125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).