N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide

C27H24F3N5O3 — CID 162666689

IUPACN-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(-n2ccc3cc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)ccc32)ccn1
InChIInChI=1S/C27H24F3N5O3/c1-31-26(37)22-16-20(6-8-32-22)35-9-7-17-14-19(3-5-23(17)35)33-25(36)18-2-4-24(21(15-18)27(28,29)30)34-10-12-38-13-11-34/h2-9,14-16H,10-13H2,1H3,(H,31,37)(H,33,36)
InChIKeyFHJZVRSTZGXWKL-UHFFFAOYSA-N
MW523.52 g/mol
LogP4.49
Rot. Bonds5

About N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide

N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide (PubChem CID 162666689) has the molecular formula C27H24F3N5O3 and a molecular weight of 523.52 g/mol. Its IUPAC name is N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
PubChem CID162666689
Molecular FormulaC27H24F3N5O3
Molecular Weight523.52 g/mol
Exact Mass523.18
IUPAC NameN-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(-n2ccc3cc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)ccc32)ccn1
InChIInChI=1S/C27H24F3N5O3/c1-31-26(37)22-16-20(6-8-32-22)35-9-7-17-14-19(3-5-23(17)35)33-25(36)18-2-4-24(21(15-18)27(28,29)30)34-10-12-38-13-11-34/h2-9,14-16H,10-13H2,1H3,(H,31,37)(H,33,36)
InChIKeyFHJZVRSTZGXWKL-UHFFFAOYSA-N
XLogP4.49
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide (CID 162666689) is N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide is CNC(=O)c1cc(-n2ccc3cc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)ccc32)ccn1.
What is the InChIKey of N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide?
The InChIKey is FHJZVRSTZGXWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O3/c1-31-26(37)22-16-20(6-8-32-22)35-9-7-17-14-19(3-5-23(17)35)33-25(36)18-2-4-24(21(15-18)27(28,29)30)34-10-12-38-13-11-34/h2-9,14-16H,10-13H2,1H3,(H,31,37)(H,33,36).
What are the key properties of N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide?
N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide has a molecular weight of 523.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162666689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).