N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide

C30H28FN5O2 — CID 66992592

IUPACN-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cncc(-n3cc(C)c4cc(F)ccc43)c2)c1=O
InChIInChI=1S/C30H28FN5O2/c1-19-17-35(28-11-9-23(31)14-25(19)28)24-13-21(15-33-16-24)18-36-27(22-7-5-4-6-8-22)12-10-26(30(36)38)34-29(37)20(2)32-3/h4-17,20,32H,18H2,1-3H3,(H,34,37)
InChIKeyCIMPANIOZLSVGD-UHFFFAOYSA-N
MW509.59 g/mol
LogP4.90
Rot. Bonds7

About N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide

N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 66992592) has the molecular formula C30H28FN5O2 and a molecular weight of 509.59 g/mol. Its IUPAC name is N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID66992592
Molecular FormulaC30H28FN5O2
Molecular Weight509.59 g/mol
Exact Mass509.22
IUPAC NameN-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cncc(-n3cc(C)c4cc(F)ccc43)c2)c1=O
InChIInChI=1S/C30H28FN5O2/c1-19-17-35(28-11-9-23(31)14-25(19)28)24-13-21(15-33-16-24)18-36-27(22-7-5-4-6-8-22)12-10-26(30(36)38)34-29(37)20(2)32-3/h4-17,20,32H,18H2,1-3H3,(H,34,37)
InChIKeyCIMPANIOZLSVGD-UHFFFAOYSA-N
XLogP4.90
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.59
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide (CID 66992592) is N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(-c2ccccc2)n(Cc2cncc(-n3cc(C)c4cc(F)ccc43)c2)c1=O.
What is the InChIKey of N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is CIMPANIOZLSVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O2/c1-19-17-35(28-11-9-23(31)14-25(19)28)24-13-21(15-33-16-24)18-36-27(22-7-5-4-6-8-22)12-10-26(30(36)38)34-29(37)20(2)32-3/h4-17,20,32H,18H2,1-3H3,(H,34,37).
What are the key properties of N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide?
N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 509.59 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(5-fluoro-3-methylindol-1-yl)-3-pyridinyl]methyl]-2-oxo-6-phenyl-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 66992592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).