5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide

C25H21ClF2N4O2 — CID 118213110

IUPAC5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
SMILESCC(=O)NCc1ccc(Cc2cncc(C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)c2)c(F)c1
InChIInChI=1S/C25H21ClF2N4O2/c1-14(33)30-10-15-2-3-17(22(27)6-15)4-16-5-19(11-29-9-16)25(34)32-12-18-7-20-21(26)13-31-24(20)8-23(18)28/h2-3,5-9,11,13,31H,4,10,12H2,1H3,(H,30,33)(H,32,34)
InChIKeyLXKUAELVTGHHMY-UHFFFAOYSA-N
MW482.92 g/mol
LogP4.65
Rot. Bonds7

About 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide

5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 118213110) has the molecular formula C25H21ClF2N4O2 and a molecular weight of 482.92 g/mol. Its IUPAC name is 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID118213110
Molecular FormulaC25H21ClF2N4O2
Molecular Weight482.92 g/mol
Exact Mass482.13
IUPAC Name5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
SMILESCC(=O)NCc1ccc(Cc2cncc(C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)c2)c(F)c1
InChIInChI=1S/C25H21ClF2N4O2/c1-14(33)30-10-15-2-3-17(22(27)6-15)4-16-5-19(11-29-9-16)25(34)32-12-18-7-20-21(26)13-31-24(20)8-23(18)28/h2-3,5-9,11,13,31H,4,10,12H2,1H3,(H,30,33)(H,32,34)
InChIKeyLXKUAELVTGHHMY-UHFFFAOYSA-N
XLogP4.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118212905
5-[[4-(1-acetylpyrrolidin-2-yl)-3-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118212299
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide;fluoroethane
CID 144880564
1-[[4-(acetamidomethyl)-2,5-difluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-6-oxopyridine-3-carboxamide
CID 118220543
5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[[5-[(E)-1-chloroprop-1-enyl]-4-ethyl-2-fluorophenyl]methyl]pyridine-3-carboxamide
CID 144881286
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[[6-(methylaminomethyl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 144881115
N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213156
[3-[[5-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-3-pyridinyl]methyl]-2-pyridinyl]methyl carbamate
CID 175008487
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(6-chloroisoquinolin-3-yl)methyl]pyridine-4-carboxamide
CID 146325929
2-[[4-[[(2-aminoacetyl)amino]methyl]-3-methoxyphenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 118213068
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212944
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 134178028

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide (CID 118213110) is 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide is CC(=O)NCc1ccc(Cc2cncc(C(=O)NCc3cc4c(Cl)c[nH]c4cc3F)c2)c(F)c1.
What is the InChIKey of 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is LXKUAELVTGHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N4O2/c1-14(33)30-10-15-2-3-17(22(27)6-15)4-16-5-19(11-29-9-16)25(34)32-12-18-7-20-21(26)13-31-24(20)8-23(18)28/h2-3,5-9,11,13,31H,4,10,12H2,1H3,(H,30,33)(H,32,34).
What are the key properties of 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide?
5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 482.92 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118213110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).